data_1veg_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 1veg _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 ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 m -110.93 141.85 43.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -38.58 -58.65 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -48.97 -57.44 6.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.466 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 69.5 m -46.75 -36.36 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.4 mt -78.94 -43.49 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -61.69 -43.08 99.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -61.46 -27.39 68.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.601 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 9.7 mt -75.02 -53.35 9.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.8 t -46.99 -38.38 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.77 -51.02 67.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.601 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 36.6 mtm -54.59 -33.84 61.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 122.08 57.53 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.59 1.181 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 64' ' ' LEU . 25.1 m-85 -145.05 116.7 8.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -42.96 130.62 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.2 m -37.62 -56.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.3 t -45.17 -49.1 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.457 ' CG1' HD22 ' A' ' 64' ' ' LEU . 20.7 t -62.31 -39.65 84.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.19 -50.55 71.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.22 -41.32 97.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.43 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -68.37 -38.12 81.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -61.69 -63.54 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' GLY . 5.0 mt -43.11 -41.14 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -64.42 -41.98 96.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' ALA . 49.0 t -58.06 -57.97 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 60' ' ' ALA . 22.2 m-85 -87.07 40.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 70.64 -57.85 0.94 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 161.62 42.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.415 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.3 m120 -104.37 115.3 30.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 6.8 t -56.86 -40.82 73.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -68.25 -64.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -39.26 -44.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.571 ' HA ' ' CE1' ' A' ' 53' ' ' PHE . . . -61.61 -59.61 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.466 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -53.94 -54.89 32.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -38.0 -32.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 61' ' ' ALA . 25.9 m -99.29 -51.82 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 12.3 mt -49.99 -38.06 35.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.267 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.81 146.71 24.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.96 -58.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.8 tt0 -44.53 -66.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.46 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 14.8 m -39.05 -39.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.418 ' CD1' ' OE1' ' A' ' 47' ' ' GLU . 44.2 mt -75.64 -46.54 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLU . 7.2 m-80 -59.33 -43.41 92.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -61.63 -28.65 69.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.605 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 11.5 mt -75.93 -55.88 5.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.5 t -44.78 -36.58 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -57.1 -50.9 71.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.605 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 36.3 mtm -53.8 -33.6 56.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.43 59.04 0.22 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.571 1.169 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 18.8 m-85 -146.63 119.77 8.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' THR . 71.4 m-20 -43.45 131.89 4.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.0 OUTLIER -38.12 -55.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.1 t -45.79 -50.54 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 4.3 t -59.66 -41.43 85.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.62 -54.88 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.418 ' OE1' ' CD1' ' A' ' 33' ' ' ILE . 2.5 mt-10 -57.29 -50.76 71.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.478 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -62.49 -49.08 76.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -48.87 -63.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.2 mt -43.01 -64.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -39.88 -45.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 19.7 t -57.93 -71.25 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.493 ' O ' ' C ' ' A' ' 54' ' ' GLY . 30.1 m-85 -72.43 67.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.11 49.18 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 46.32 59.16 5.38 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 53' ' ' PHE . 16.9 m-20 -119.59 111.82 18.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 37.1 t -56.93 -53.19 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -54.96 -60.36 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -45.45 -60.17 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.0 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.61 -55.83 4.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.0 -31.19 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 m -91.72 -50.97 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 60.9 mt -55.23 -53.06 60.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.472 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.07 165.08 26.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -57.46 9.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.2 tt0 -49.73 -68.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' GLU . 36.0 p -36.71 -51.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.5 mt -64.4 -47.2 90.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' GLU . 23.2 m-20 -58.08 -46.79 84.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -58.65 -31.0 67.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.48 HD23 ' CE ' ' A' ' 39' ' ' MET . 12.6 mt -69.97 -58.42 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' GLY . 77.0 t -42.32 -45.94 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.91 -60.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.48 ' CE ' HD23 ' A' ' 36' ' ' LEU . 72.7 mtm -47.42 -34.67 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 37' ' ' VAL . . . 121.83 56.62 0.21 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.944 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 41.8 m-85 -140.02 114.32 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' THR . 5.6 m-20 -39.62 131.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -37.18 -59.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.419 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.1 t -40.66 -53.1 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.421 ' CG1' HD21 ' A' ' 64' ' ' LEU . 2.5 t -57.58 -43.52 83.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -60.49 -50.84 71.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.74 -40.18 96.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.463 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -69.14 -37.36 78.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -61.98 -63.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.472 HD13 ' CB ' ' A' ' 28' ' ' PRO . 3.9 mt -43.28 -41.35 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.0 mtt85 -64.12 -41.88 97.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 46.9 t -58.42 -58.75 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 60' ' ' ALA . 22.0 m-85 -86.4 42.71 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 70.08 -58.47 0.8 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 163.21 41.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -102.93 132.88 48.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.9 t -73.85 -44.94 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -63.68 -54.93 27.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.417 HD21 ' N ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -50.53 -49.67 55.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.562 ' HA ' ' CE1' ' A' ' 53' ' ' PHE . . . -60.26 -60.19 4.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.11 -53.68 19.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.68 -46.09 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.6 m -80.38 -55.7 4.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.399 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 36.6 mt -44.55 -42.06 6.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.01 146.17 27.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -38.91 -59.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' ASN . 49.1 mt-10 -45.86 -65.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.418 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 48.7 m -39.53 -34.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.963 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.417 HD11 ' CG ' ' A' ' 47' ' ' GLU . 27.7 mt -81.29 -46.08 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' GLU . 70.4 m-20 -59.9 -39.79 86.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -65.52 -27.54 68.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.604 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 11.7 mt -76.26 -53.55 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.8 t -43.52 -38.81 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.85 -60.54 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.604 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 40.5 mtm -44.63 -34.44 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.563 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.22 61.2 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 26.1 m-85 -148.0 115.28 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.793 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' THR . 11.7 m-20 -40.95 132.01 2.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.0 OUTLIER -37.54 -55.16 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 110.452 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -46.59 -51.63 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 5.2 t -58.17 -40.75 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -57.76 10.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' CG ' HD11 ' A' ' 33' ' ' ILE . 7.2 mt-10 -54.4 -52.98 60.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.479 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -60.27 -48.65 80.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -49.4 -65.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.0 mt -41.2 -66.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -38.16 -46.68 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 21.5 t -57.6 -73.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 29.8 m-85 -69.73 64.72 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 29.56 51.2 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 39.52 69.64 0.41 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -131.25 101.93 5.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 41.6 t -43.85 -42.92 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' LEU . 1.3 tt0 -63.45 -71.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.416 ' N ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -40.11 -54.57 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.567 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -53.36 -61.32 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.65 -57.93 6.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -39.17 -34.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -91.13 -54.98 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.387 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.571 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 23.5 mt -48.44 -34.31 10.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.437 ' CB ' HD12 ' A' ' 50' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -125.24 151.13 46.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' A' ' 34' ' ' ASN . 1.1 tp60 -39.36 -41.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.491 ' CB ' ' OE1' ' A' ' 35' ' ' GLN . 4.5 mt-10 -55.86 -78.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.445 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 6.0 m -36.51 -50.28 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.043 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.9 mt -58.43 -51.02 76.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLU . 93.1 m-20 -60.98 -47.12 87.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.491 ' OE1' ' CB ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -57.84 -28.5 64.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.595 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.2 mt -73.21 -54.14 9.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.5 t -46.28 -42.1 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.08 -50.62 35.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.595 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 56.5 mtm -57.34 -32.86 67.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.509 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 122.36 54.91 0.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 12.4 m-85 -140.92 112.5 7.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' THR . 1.0 OUTLIER -40.09 131.15 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.2 m -36.42 -56.57 0.79 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.422 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.4 t -45.18 -51.95 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 7.2 t -58.68 -39.93 77.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.31 -52.5 61.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.57 -51.0 71.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.486 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -62.36 -49.09 76.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -49.41 -67.29 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.5 mt -40.25 -67.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -36.95 -46.31 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 22.9 t -58.95 -75.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.523 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 24.4 m-85 -68.16 64.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.05 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 29.21 48.22 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 43.79 68.67 0.8 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -130.8 100.02 5.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.429 ' CG2' ' OG ' ' A' ' 32' ' ' SER . 79.2 t -41.83 -44.19 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -62.27 -71.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' GLN . 0.6 OUTLIER -40.2 -48.52 2.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.523 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -58.36 -59.76 4.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 63' ' ' THR . . . -52.67 -56.85 12.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.3 -27.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.414 ' N ' ' C ' ' A' ' 61' ' ' ALA . 49.0 m -96.07 -48.16 5.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 18.9 mt -58.68 -51.87 68.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.895 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m -124.1 152.98 42.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -46.35 -38.56 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.445 ' OE1' ' NE2' ' A' ' 35' ' ' GLN . 7.3 tp10 -63.81 -69.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.459 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 26.5 m -40.54 -33.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.47 ' CD1' ' HG2' ' A' ' 47' ' ' GLU . 58.5 mt -80.74 -45.97 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' GLU . 89.4 m-20 -61.44 -40.67 95.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.445 ' NE2' ' OE1' ' A' ' 31' ' ' GLU . 18.2 mm-40 -64.27 -26.5 68.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.587 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.0 mt -75.99 -58.36 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.9 t -43.74 -45.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.8 -50.3 10.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.587 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 59.5 mtm -57.49 -40.4 78.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.549 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 131.21 56.68 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.567 ' CD2' HD12 ' A' ' 64' ' ' LEU . 12.5 m-85 -143.04 114.91 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' VAL . 2.1 m-20 -40.84 131.36 2.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.2 m -37.71 -54.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.0 t -46.81 -50.62 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 6.2 t -59.25 -41.99 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.39 -56.85 14.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.47 ' HG2' ' CD1' ' A' ' 33' ' ' ILE . 6.3 mt-10 -59.14 -50.81 72.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.342 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 51' ' ' ARG . . . -59.34 -50.02 75.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -48.44 -55.23 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' GLY . 4.4 mt -51.92 -24.28 6.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -83.01 -26.26 31.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' ALA . 20.1 t -78.92 -47.27 23.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 44.3 m-85 -95.73 41.69 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 68.63 -58.92 0.48 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 163.71 41.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -105.76 118.5 36.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 13.9 t -61.24 -42.75 94.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -62.33 -63.14 1.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -40.61 -50.96 3.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.551 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -54.81 -59.56 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.452 ' CB ' ' HE3' ' A' ' 39' ' ' MET . . . -53.71 -58.26 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.03 -31.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.407 ' N ' ' C ' ' A' ' 61' ' ' ALA . 3.1 m -88.65 -54.33 4.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.396 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.567 HD12 ' CD2' ' A' ' 41' ' ' PHE . 34.2 mt -54.23 -53.44 53.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.468 ' CB ' HD11 ' A' ' 50' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.34 147.11 42.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.87 -33.93 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' ASN . 23.2 mt-10 -65.31 -71.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.412 ' OG ' ' CG2' ' A' ' 57' ' ' VAL . 2.4 m -40.72 -35.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.406 HG13 ' CD1' ' A' ' 50' ' ' LEU . 44.0 mt -75.54 -46.45 37.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' GLU . 57.3 m-20 -63.49 -42.9 98.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -61.76 -28.66 69.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.617 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -74.47 -54.28 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.1 t -46.32 -37.57 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -57.63 -54.9 41.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.617 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 32.9 mtm -50.31 -36.89 33.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 125.82 57.92 0.16 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 26.7 m-85 -146.98 113.22 5.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 0.765 . . . . 0.0 111.043 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' PHE . 5.3 m-20 -40.61 134.43 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.496 ' CG2' ' OE2' ' A' ' 47' ' ' GLU . 1.2 m -40.16 -59.06 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.421 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.5 t -41.46 -51.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 4.6 t -60.31 -41.7 88.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -62.45 -55.09 30.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.496 ' OE2' ' CG2' ' A' ' 43' ' ' THR . 4.1 mt-10 -59.57 -50.69 72.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.3 -48.99 79.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -50.17 -55.37 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 28' ' ' PRO . 6.1 mt -52.8 -21.58 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.68 -24.61 25.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 49' ' ' ALA . 16.3 t -80.13 -42.99 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 32.2 m-85 -102.37 44.07 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 68.16 -60.44 0.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 165.93 41.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.424 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.6 m120 -105.52 124.98 50.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.412 ' CG2' ' OG ' ' A' ' 32' ' ' SER . 81.0 t -67.15 -43.31 88.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -58.28 6.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -45.0 -39.23 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.574 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -70.27 -62.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.465 ' CB ' ' HE2' ' A' ' 39' ' ' MET . . . -48.02 -46.77 33.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.69 -39.82 25.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -78.96 -47.92 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 41.3 mt -57.91 -60.87 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.414 ' CB ' HD11 ' A' ' 50' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.58 145.51 27.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.94 -43.78 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.502 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 16.5 tt0 -60.13 -46.03 91.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.3 m -60.08 -35.89 76.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.9 mt -78.34 -44.62 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -64.38 -38.68 91.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 31' ' ' GLU . 5.7 mm-40 -66.56 -26.43 67.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.578 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -76.14 -56.8 4.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.2 t -47.0 -37.04 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.39 -47.9 56.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.578 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 67.2 mtm -61.79 -35.19 77.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 127.79 53.8 0.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 13.2 m-85 -138.33 111.04 7.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' VAL . 9.3 m-20 -39.09 131.54 1.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.1 m -36.45 -54.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.2 t -48.76 -49.93 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 10.8 t -59.16 -40.79 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.07 -57.53 10.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.65 -51.63 64.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.475 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -61.69 -51.02 70.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -47.05 -62.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.0 mt -44.4 -66.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' LEU . 35.9 mtt180 -38.26 -44.0 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 16.7 t -59.63 -74.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 26.0 m-85 -69.45 65.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.72 44.16 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 53.76 59.37 9.89 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' PHE . 2.0 m120 -119.28 97.53 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.424 ' N ' HD21 ' A' ' 50' ' ' LEU . 37.6 t -40.53 -44.43 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -63.41 -73.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 0.5 OUTLIER -41.06 -28.94 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.566 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -75.63 -51.03 13.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 58' ' ' GLN . . . -69.82 -51.89 29.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.511 ' CG ' ' N ' ' A' ' 63' ' ' THR . 6.3 pt20 -37.58 -47.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.345 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.511 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 1.1 m -77.54 -53.91 7.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 77.4 mt -48.59 -58.02 5.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.63 172.61 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.81 -46.69 87.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' ASN . 0.8 OUTLIER -52.86 -76.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.452 ' CB ' ' CG2' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -36.2 -59.38 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.467 HD11 ' CG ' ' A' ' 47' ' ' GLU . 14.5 mt -52.29 -47.47 45.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' GLU . 12.1 m-20 -61.87 -52.6 63.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -52.35 -28.63 20.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.524 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.1 mt -72.57 -57.52 4.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.414 HG22 ' OG1' ' A' ' 43' ' ' THR . 78.4 t -41.62 -44.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.97 -55.54 5.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.524 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 49.1 mtm -51.83 -33.31 35.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.13 54.88 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 64' ' ' LEU . 44.0 m-85 -140.32 112.81 7.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.773 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' PHE . 3.9 m-20 -39.6 132.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -38.1 -58.66 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.4 t -42.4 -51.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 10.8 t -59.5 -39.84 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -64.7 -49.48 70.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.467 ' CG ' HD11 ' A' ' 33' ' ' ILE . 4.0 mt-10 -62.05 -48.99 77.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.474 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -64.79 -47.17 79.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -51.03 -64.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.8 mt -42.34 -63.48 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -40.05 -44.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.312 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 22.6 t -59.26 -73.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.174 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 25.2 m-85 -69.77 67.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 27.51 52.25 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 42.18 57.24 3.7 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' PHE . 2.5 m120 -117.22 105.49 12.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.452 ' CG2' ' CB ' ' A' ' 32' ' ' SER . 23.5 t -49.61 -52.09 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -56.27 -68.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.5 OUTLIER -39.47 -60.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.554 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -47.57 -64.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -47.03 -58.11 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -38.33 -32.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' ALA . 5.5 m -95.46 -51.84 4.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 13.1 mt -50.57 -36.01 32.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.456 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.828 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.49 151.89 30.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.1 -40.06 22.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' ASN . 2.7 tp10 -61.24 -68.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.432 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 63.8 m -40.94 -34.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.425 HD11 ' CG ' ' A' ' 47' ' ' GLU . 41.3 mt -77.31 -45.97 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' GLU . 43.7 m-20 -63.4 -42.03 98.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -62.57 -30.24 71.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.593 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -72.46 -57.96 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.9 t -43.88 -42.74 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.62 -49.31 27.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.593 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 55.2 mtm -57.91 -35.66 71.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.524 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 125.53 55.54 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 12.4 m-85 -141.59 114.57 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 0.786 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 43' ' ' THR . 5.8 m-20 -40.4 130.28 2.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.1 m -36.75 -56.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.3 t -45.27 -51.95 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.525 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 4.8 t -57.92 -41.19 79.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.86 -58.88 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' CG ' HD11 ' A' ' 33' ' ' ILE . 7.0 mt-10 -50.71 -54.19 25.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 51' ' ' ARG . . . -61.58 -55.72 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -39.98 -47.62 2.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.5 mt -60.77 -51.47 69.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -52.75 -24.98 9.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 t -80.75 -73.89 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 17.6 m-85 -73.2 67.99 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.569 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 21.45 60.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 37.71 60.62 1.2 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 53' ' ' PHE . 2.4 m120 -118.82 92.71 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 39.5 t -39.86 -49.29 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.81 -67.79 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.43 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -43.43 -43.97 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.576 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -59.49 -58.45 8.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -53.43 -59.07 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -38.27 -30.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 61' ' ' ALA . 3.2 m -93.97 -57.41 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.399 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 73.3 mt -48.04 -42.03 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.78 153.66 22.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.75 -37.57 6.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -62.94 -70.81 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.465 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 12.7 m -39.69 -40.7 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.407 HD11 ' CG ' ' A' ' 47' ' ' GLU . 30.2 mt -71.24 -46.55 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLU . 13.9 m-20 -62.27 -44.72 95.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -60.57 -28.86 68.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.256 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' CD2' ' HE3' ' A' ' 39' ' ' MET . 12.2 mt -74.38 -57.06 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' LEU . 53.7 t -40.07 -45.02 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.33 -64.93 0.63 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.494 ' HE3' ' CD2' ' A' ' 36' ' ' LEU . 2.1 mtp -42.28 -34.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.602 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.39 71.7 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 55.6 m-85 -158.57 113.72 2.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' THR . 9.3 m-20 -39.94 131.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -36.32 -60.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -41.45 -54.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 5.9 t -56.95 -40.13 70.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -63.62 -51.78 63.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.407 ' CG ' HD11 ' A' ' 33' ' ' ILE . 6.4 mt-10 -60.73 -50.62 72.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.479 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -62.3 -47.69 83.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.138 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -50.01 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.477 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.1 mt -41.88 -64.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.234 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -38.75 -44.31 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 21.8 t -60.89 -75.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.58 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 22.1 m-85 -68.12 67.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 27.99 54.97 0.12 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 38.19 59.96 1.41 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.429 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 2.4 m120 -121.28 110.13 15.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 61.4 t -52.64 -57.18 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -51.33 -67.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.248 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.429 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -39.73 -71.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.58 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -41.33 -60.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.483 ' CB ' ' HE3' ' A' ' 39' ' ' MET . . . -48.09 -45.87 33.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 63' ' ' THR . 0.4 OUTLIER -47.84 -48.38 30.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 2.2 m -80.15 -44.14 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.444 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 12.0 mt -56.28 -29.93 61.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 61' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.921 0 N-CA-C 111.049 -0.404 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 p -98.05 139.86 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' ILE . 1.1 tp60 -38.45 -65.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 18.1 mt-10 -40.62 -44.78 2.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.25 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 m -60.2 -45.44 93.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.938 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' GLN . 20.3 mt -70.33 -46.67 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -60.91 -41.7 96.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 31' ' ' GLU . 5.8 mm-40 -63.68 -26.77 68.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.487 HD21 ' CE ' ' A' ' 39' ' ' MET . 11.3 mt -74.89 -58.27 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.8 t -41.18 -43.36 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.59 -59.2 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.487 ' CE ' HD21 ' A' ' 36' ' ' LEU . 69.6 mtm -49.4 -32.7 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.95 58.16 0.25 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 33.0 m-85 -141.24 115.47 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 43' ' ' THR . 86.4 m-20 -40.28 130.0 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.1 m -36.7 -55.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 m -44.88 -55.73 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 49' ' ' ALA . 6.3 t -55.72 -39.71 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.25 -51.18 68.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.17 -43.53 91.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.472 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -65.73 -40.15 91.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -59.48 -66.35 0.53 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' GLY . 2.5 mt -41.67 -43.97 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -60.84 -44.23 97.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 42.3 t -57.09 -57.5 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 20.4 m-85 -87.61 40.56 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 69.68 -58.51 0.71 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.66 42.11 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.412 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.4 m120 -101.55 112.25 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 t -54.94 -40.7 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -68.01 -65.5 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.422 ' N ' HD22 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -39.67 -46.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.567 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -59.94 -61.57 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.472 ' HB1' ' CE ' ' A' ' 39' ' ' MET . . . -51.11 -54.95 20.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.92 -34.63 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.3 m -90.11 -56.3 3.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 82.2 mt -47.21 -48.13 24.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.404 ' CB ' HD11 ' A' ' 50' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' GLN . 4.6 m -89.54 140.34 29.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.045 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 29' ' ' SER . 2.3 tp60 -38.56 -52.35 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' ASN . 9.0 mt-10 -50.16 -65.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 m -40.62 -29.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.422 ' N ' ' C ' ' A' ' 31' ' ' GLU . 32.0 mt -87.52 -45.08 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' GLU . 72.7 m-20 -61.61 -36.76 81.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -68.75 -26.18 65.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.23 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.557 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.4 mt -75.78 -52.64 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.6 t -47.56 -39.48 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -52.16 -46.77 65.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.557 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 44.8 mtm -60.42 -32.61 71.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.23 54.08 0.23 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 36.3 m-85 -140.21 116.77 10.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' VAL . 2.1 t0 -40.4 132.54 2.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.441 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 1.1 m -40.94 -40.64 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 t -62.08 -47.02 95.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.491 ' CG1' HD21 ' A' ' 64' ' ' LEU . 13.1 t -59.73 -35.46 60.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.468 ' CB ' HD13 ' A' ' 36' ' ' LEU . . . -69.32 -61.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.407 ' HG2' ' CG2' ' A' ' 33' ' ' ILE . 3.3 mt-10 -50.9 -51.32 53.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' ARG . . . -59.51 -50.63 73.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -48.04 -52.91 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 54' ' ' GLY . 5.7 mt -56.42 -24.31 44.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -81.91 -24.52 35.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.5 t -78.53 -55.53 9.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 18.7 m-85 -90.4 44.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 67.97 -59.11 0.37 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 164.25 42.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.4 m120 -103.86 120.13 40.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.7 t -62.79 -41.38 92.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -61.61 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -42.35 -38.82 1.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.576 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -69.64 -62.65 1.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB3' ' CE ' ' A' ' 39' ' ' MET . . . -48.73 -41.48 32.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -38.28 66.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.0 m -86.3 -49.12 7.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.491 HD21 ' CG1' ' A' ' 45' ' ' VAL . 33.9 mt -58.87 -18.14 30.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 61' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.0 m -101.37 145.79 28.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.33 -45.45 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 5.3 mm-40 -59.51 -45.71 90.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.351 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.474 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 59.8 m -59.76 -37.18 78.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.1 mt -77.41 -46.74 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -61.63 -39.85 92.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 31' ' ' GLU . 5.2 mm-40 -64.92 -28.17 69.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.258 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.604 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.9 mt -74.81 -60.18 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.411 HG21 ' OG1' ' A' ' 43' ' ' THR . 69.6 t -40.83 -38.73 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -55.22 -45.62 75.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.604 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 31.5 mtm -60.65 -36.09 77.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.514 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 127.54 53.66 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 15.2 m-85 -143.66 110.82 5.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 0.772 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 43' ' ' THR . 36.1 t0 -38.69 137.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.3 m -38.41 -63.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.392 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 45' ' ' VAL . 8.3 p -40.62 -54.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.501 ' N ' ' CG1' ' A' ' 44' ' ' VAL . 10.4 t -55.25 -41.63 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -63.46 -52.38 61.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' OE2' ' CG2' ' A' ' 43' ' ' THR . 4.6 mt-10 -60.33 -51.01 71.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.477 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -61.69 -47.28 86.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -51.44 -66.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.7 mt -40.09 -65.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -38.99 -46.87 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 25.0 t -57.76 -72.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.577 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 27.4 m-85 -70.26 67.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.513 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.15 52.46 0.11 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 40.42 60.41 2.03 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.432 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 2.1 m120 -120.91 104.89 10.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.474 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 21.3 t -48.53 -49.49 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' LEU . 1.5 tt0 -58.84 -68.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -39.93 -59.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.577 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -47.75 -62.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.413 ' CB ' ' HE2' ' A' ' 39' ' ' MET . . . -48.75 -56.9 7.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -38.53 -33.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.295 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -95.99 -53.78 3.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 18.5 mt -48.51 -34.21 10.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.438 ' CB ' HD12 ' A' ' 50' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.814 0 N-CA-C 110.96 -0.438 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 p -106.03 145.93 30.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.989 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -39.85 -42.82 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.3 tp10 -61.27 -67.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -39.97 -36.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.4 mt -76.08 -46.78 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLU . 8.2 m-20 -61.6 -42.89 99.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -61.36 -28.21 69.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.555 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.1 mt -73.51 -56.97 4.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 82.2 t -43.85 -41.59 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.68 -46.78 50.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.555 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 41.1 mtm -60.06 -32.28 70.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.7 53.3 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 41.3 m-85 -139.67 118.48 12.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.776 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' THR . 54.3 m-20 -43.08 130.11 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.2 m -37.87 -54.51 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 m -45.44 -57.15 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.468 ' CG1' HD21 ' A' ' 64' ' ' LEU . 10.7 t -55.32 -38.52 48.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.3 -49.81 74.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -67.31 -44.33 79.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.451 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -64.73 -40.1 94.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -61.85 -66.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' GLY . 5.2 mt -41.14 -42.51 2.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -44.81 95.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 49' ' ' ALA . 49.0 t -56.38 -59.39 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.577 ' CE1' ' HA ' ' A' ' 60' ' ' ALA . 17.8 m-85 -85.6 43.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 68.93 -59.03 0.53 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.459 1.099 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 163.8 41.73 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.7 m120 -99.51 129.7 45.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.794 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.2 t -73.11 -45.34 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -62.92 -54.73 34.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.418 ' N ' HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -46.86 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.577 ' HA ' ' CE1' ' A' ' 53' ' ' PHE . . . -43.26 -61.88 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.471 ' HB1' ' CE ' ' A' ' 39' ' ' MET . . . -46.89 -45.34 20.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.467 ' CG ' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -51.28 -48.43 62.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 1.5 m -75.26 -45.7 38.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 85.9 mt -56.96 -63.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.92 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.63 149.61 21.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -43.94 -51.23 7.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' ASN . 4.1 tt0 -52.83 -66.44 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.463 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 43.7 m -39.88 -38.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.45 HD11 ' CG ' ' A' ' 47' ' ' GLU . 35.6 mt -76.25 -45.35 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLU . 54.4 m-20 -61.34 -42.46 98.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.229 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -61.28 -30.63 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.527 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 8.8 mt -71.5 -59.42 2.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.9 t -40.63 -45.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -43.73 -53.6 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.527 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 51.2 mtm -53.61 -34.36 58.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.22 56.87 0.21 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 32.8 m-85 -142.22 116.19 9.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -40.77 130.2 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.2 m -38.11 -54.87 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.9 t -45.56 -51.33 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 3.9 t -58.67 -41.5 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.03 -56.55 17.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.45 ' CG ' HD11 ' A' ' 33' ' ' ILE . 4.0 mt-10 -55.0 -53.96 49.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.47 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -59.87 -47.49 85.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -51.28 -66.96 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.0 mt -39.19 -63.58 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -41.16 -47.04 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 23.2 t -56.56 -66.78 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 33.8 m-85 -76.74 69.16 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.48 53.87 0.13 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 40.32 57.39 2.65 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.421 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 2.8 m120 -116.91 129.24 55.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 27.0 t -70.17 -62.0 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.52 -59.47 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.421 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -45.67 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.573 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -39.46 -62.06 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.465 ' HB1' ' CE ' ' A' ' 39' ' ' MET . . . -46.29 -46.16 17.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -49.64 -48.2 49.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 20.7 m -74.78 -43.28 55.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 28.2 mt -56.58 -51.21 69.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.461 ' HG2' ' CD1' ' A' ' 33' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 t -86.87 137.77 32.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.067 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -39.45 -43.63 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.9 tt0 -59.83 -66.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.0 m -41.96 -32.17 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CD1' ' HG2' ' A' ' 28' ' ' PRO . 53.3 mt -80.81 -44.51 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLU . 89.3 m-20 -64.49 -40.79 96.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -63.86 -27.16 68.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.604 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -74.76 -54.58 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.4 t -47.99 -37.11 6.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -55.35 -41.22 72.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.604 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 41.6 mtm -65.86 -31.14 71.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.02 53.74 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 12.4 m-85 -141.38 118.54 11.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 0.78 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -43.46 130.56 5.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.2 m -38.0 -53.62 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.421 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.9 t -48.65 -49.51 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 16.6 t -59.48 -39.82 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.433 ' CB ' HD13 ' A' ' 36' ' ' LEU . . . -64.3 -58.62 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.46 ' CG ' HD11 ' A' ' 33' ' ' ILE . 3.9 mt-10 -51.98 -51.19 58.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.471 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -63.58 -51.47 65.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -46.68 -60.19 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.455 HD12 ' CB ' ' A' ' 28' ' ' PRO . 2.8 mt -46.37 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' LEU . 41.0 mtt180 -38.33 -41.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 12.1 t -62.12 -74.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 21.3 m-85 -70.06 65.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 27.99 44.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 49.94 65.62 2.78 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -124.43 95.62 4.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.3 t -40.17 -40.2 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -70.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.408 ' N ' HD21 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -40.74 -48.28 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -58.35 -57.43 12.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.76 -58.39 7.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.55 -42.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.52 -62.37 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.374 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 40.2 mt -49.49 -56.85 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.434 ' CB ' HD11 ' A' ' 50' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.95 151.5 24.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -40.23 -53.7 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' ASN . 17.0 tt0 -52.02 -66.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.15 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.5 m -39.42 -34.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.2 mt -81.32 -46.71 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' GLU . 61.1 m-20 -59.68 -39.86 85.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -65.5 -21.22 66.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.424 HD23 ' CE ' ' A' ' 39' ' ' MET . 11.3 mt -82.23 -60.56 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.9 t -40.31 -33.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -59.63 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.475 ' CE ' ' CB ' ' A' ' 61' ' ' ALA . 69.1 mtm -51.74 -28.68 15.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 116.62 55.92 0.32 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.13 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.57 ' CD2' HD12 ' A' ' 64' ' ' LEU . 15.4 m-85 -135.15 115.75 13.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 43' ' ' THR . 5.1 m-20 -39.95 129.79 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.1 m -37.15 -57.1 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.7 t -44.6 -52.36 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 8.6 t -57.47 -40.18 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.38 -53.7 48.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.07 -51.24 70.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.474 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -62.37 -49.0 77.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -48.12 -61.62 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.6 mt -44.62 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' LEU . 5.0 mtp180 -36.92 -43.85 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 16.1 t -60.73 -75.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.494 ' O ' ' C ' ' A' ' 54' ' ' GLY . 24.3 m-85 -69.83 67.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.494 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.34 46.2 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 44.09 66.32 1.37 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' VAL . 1.9 m-20 -124.17 96.04 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 0.804 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.418 ' N ' HD22 ' A' ' 50' ' ' LEU . 43.8 t -40.01 -42.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -63.79 -72.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' GLN . 0.7 OUTLIER -39.02 -60.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.487 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -50.05 -64.65 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.475 ' CB ' ' CE ' ' A' ' 39' ' ' MET . . . -45.62 -57.06 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -50.47 13.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -58.0 -65.93 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.57 HD12 ' CD2' ' A' ' 41' ' ' PHE . 26.7 mt -40.87 -62.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.6 m -102.85 144.59 30.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -40.42 -61.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASN . 13.7 mt-10 -39.67 -67.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.5 m -39.29 -39.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.45 HG13 ' CD1' ' A' ' 50' ' ' LEU . 56.2 mt -76.18 -46.24 34.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLU . 53.8 m-20 -59.65 -42.47 92.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -62.44 -36.48 82.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.592 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.4 mt -69.37 -56.33 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.1 t -45.4 -45.9 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -46.15 -53.75 9.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.592 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 57.5 mtm -52.19 -34.75 46.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.577 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 122.62 59.57 0.2 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 14.7 m-85 -143.51 120.37 11.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.783 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' THR . 10.0 m-20 -42.5 127.01 3.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -36.41 -56.46 0.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.172 . . . . 0.0 110.397 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -44.69 -51.7 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.483 ' CG1' ' CD2' ' A' ' 64' ' ' LEU . 4.9 t -59.1 -41.34 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.04 -52.29 64.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.14 -47.73 83.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.16 99.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -56.67 -61.08 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.45 ' CD1' HG13 ' A' ' 33' ' ' ILE . 6.6 mt -45.39 -37.62 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.0 mtt-85 -73.04 -34.39 66.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 49' ' ' ALA . 76.9 t -58.94 -59.56 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.589 ' CE1' ' HA ' ' A' ' 60' ' ' ALA . 61.2 m-85 -77.35 -65.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.412 ' O ' ' OD1' ' A' ' 56' ' ' ASN . . . 146.65 65.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.02 19.55 11.58 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.534 ' CB ' HD21 ' A' ' 59' ' ' LEU . 3.1 m120 -88.54 81.9 7.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' ASN . 23.7 t -38.97 -60.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -45.65 -66.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.581 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 7.0 mp -37.4 -57.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.589 ' HA ' ' CE1' ' A' ' 53' ' ' PHE . . . -55.77 -62.45 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.439 ' CB ' ' HE1' ' A' ' 39' ' ' MET . . . -44.2 -53.42 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -39.5 10.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.6 m -83.92 -61.29 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.421 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 24.6 mt -47.2 -26.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 61' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.842 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.25 141.28 50.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' ILE . 1.2 tp60 -39.07 -58.78 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 34' ' ' ASN . 2.3 mt-10 -41.36 -64.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.4 m -41.95 -30.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' GLN . 25.3 mt -87.11 -43.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' GLU . 88.5 m-20 -61.94 -36.43 81.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -69.65 -27.88 65.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.601 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 11.7 mt -77.52 -59.06 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.4 t -41.96 -40.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.39 -50.07 70.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.601 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 34.3 mtm -55.06 -33.3 62.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.98 57.96 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 16.7 m-85 -145.66 115.29 7.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' THR . 10.2 m-20 -40.12 132.04 1.94 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.0 OUTLIER -37.25 -57.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.6 t -44.28 -52.11 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 5.2 t -58.42 -41.02 80.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.4 -58.02 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -51.11 -53.42 34.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.481 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -62.54 -53.96 47.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -41.73 -50.51 4.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.6 mt -60.85 -53.93 51.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.436 ' HG2' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -51.17 -22.64 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 4.9 t -82.21 -73.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 19.7 m-85 -72.19 67.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.531 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 25.58 58.53 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 36.06 55.64 1.15 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 53' ' ' PHE . 40.7 m-20 -114.13 92.04 3.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.6 t -39.75 -47.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.86 -66.25 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.408 ' N ' HD21 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -43.16 -57.27 3.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.542 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -50.96 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.24 -53.85 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -46.42 -37.6 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.1 m -85.05 -62.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 84.2 mt -45.62 -28.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -149.18 143.94 26.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 110.045 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -40.52 138.12 1.0 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.64 106.86 0.54 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.54 88.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 110.009 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.61 117.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.72 -75.63 0.04 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -82.89 144.0 47.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.527 0.78 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.83 19.58 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.538 1.81 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -51.36 -36.46 43.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.575 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.9 mtp 51.09 177.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.561 ' CZ2' ' HG3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER 44.5 74.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 108.029 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -68.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 108.002 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mt -136.21 -147.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 57.79 160.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.293 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 53.45 99.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.44 -64.02 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -126.04 100.13 30.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.561 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 18.1 Cg_endo -75.02 -52.21 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.81 88.27 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -123.01 96.96 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -127.72 156.93 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -79.58 76.25 6.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -148.77 135.24 19.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -46.73 119.42 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -173.47 167.99 4.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.83 161.28 0.3 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.51 14.39 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.543 1.812 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 m -110.93 141.85 43.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -38.58 -58.65 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -48.97 -57.44 6.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.466 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 69.5 m -46.75 -36.36 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 36.4 mt -78.94 -43.49 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -61.69 -43.08 99.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -61.46 -27.39 68.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.601 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 9.7 mt -75.02 -53.35 9.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.8 t -46.99 -38.38 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.77 -51.02 67.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.601 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 36.6 mtm -54.59 -33.84 61.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 122.08 57.53 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.59 1.181 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.58 ' CZ ' ' HB3' ' A' ' 64' ' ' LEU . 25.1 m-85 -145.05 116.7 8.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -42.96 130.62 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.2 m -37.62 -56.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.3 t -45.17 -49.1 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.457 ' CG1' HD22 ' A' ' 64' ' ' LEU . 20.7 t -62.31 -39.65 84.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.19 -50.55 71.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -64.22 -41.32 97.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.43 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -68.37 -38.12 81.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -61.69 -63.54 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' GLY . 5.0 mt -43.11 -41.14 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -64.42 -41.98 96.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' ALA . 49.0 t -58.06 -57.97 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.571 ' CE1' ' HA ' ' A' ' 60' ' ' ALA . 22.2 m-85 -87.07 40.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 70.64 -57.85 0.94 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 161.62 42.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.415 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.3 m120 -104.37 115.3 30.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 6.8 t -56.86 -40.82 73.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -68.25 -64.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.4 OUTLIER -39.26 -44.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.571 ' HA ' ' CE1' ' A' ' 53' ' ' PHE . . . -61.61 -59.61 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.466 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -53.94 -54.89 32.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -38.0 -32.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 61' ' ' ALA . 25.9 m -99.29 -51.82 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 12.3 mt -49.99 -38.06 35.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.38 -61.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -41.57 -55.41 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.608 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -54.15 11.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.35 69.27 0.94 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.538 ' O ' ' CB ' ' A' ' 70' ' ' SER . . . 55.29 106.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 69' ' ' GLY . 2.5 t 156.31 -23.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.403 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 3.5 mt 64.42 161.76 0.12 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.483 ' HG2' ' CB ' ' A' ' 75' ' ' LEU . 18.4 Cg_endo -75.04 117.76 5.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -13.29 21.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.73 43.03 3.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.483 ' CB ' ' HG2' ' A' ' 72' ' ' PRO . 0.1 OUTLIER -85.52 -37.19 19.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' PHE . 29.0 tt0 -118.35 117.77 29.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -37.49 -57.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.73 97.85 5.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -170.48 -147.84 5.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 137.22 21.34 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.0 p -169.59 130.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.83 -58.2 8.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.117 . . . . 0.0 111.043 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -173.01 83.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.974 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -178.31 130.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.53 75.57 0.41 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.15 168.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.01 131.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.2 63.67 0.3 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 55.27 97.88 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -28.79 8.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.4 m170 48.53 45.81 21.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 41.9 mtm -37.97 -48.88 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' LEU . 48.0 m95 -67.82 -62.65 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 108.041 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.545 ' CE3' ' C ' ' A' ' 13' ' ' TRP . 0.1 OUTLIER 66.3 -78.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -65.16 -152.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -111.87 -25.43 9.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -179.5 154.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.09 -63.13 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 58.49 95.29 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.246 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -51.08 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 65.76 121.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -151.78 111.29 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -154.72 154.98 33.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.1 m -143.52 143.15 31.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 109.957 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -101.41 147.21 26.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -41.38 111.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -166.47 175.97 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.2 p -50.16 152.06 3.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.01 42.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.81 146.71 24.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.96 -58.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.8 tt0 -44.53 -66.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.46 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 14.8 m -39.05 -39.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.418 ' CD1' ' OE1' ' A' ' 47' ' ' GLU . 44.2 mt -75.64 -46.54 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLU . 7.2 m-80 -59.33 -43.41 92.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -61.63 -28.65 69.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.605 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 11.5 mt -75.93 -55.88 5.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.5 t -44.78 -36.58 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -57.1 -50.9 71.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.605 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 36.3 mtm -53.8 -33.6 56.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.43 59.04 0.22 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.571 1.169 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 18.8 m-85 -146.63 119.77 8.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' THR . 71.4 m-20 -43.45 131.89 4.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.0 OUTLIER -38.12 -55.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.1 t -45.79 -50.54 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 4.3 t -59.66 -41.43 85.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.62 -54.88 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' OE1' ' CD1' ' A' ' 33' ' ' ILE . 2.5 mt-10 -57.29 -50.76 71.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.478 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -62.49 -49.08 76.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -48.87 -63.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.2 mt -43.01 -64.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -39.88 -45.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 19.7 t -57.93 -71.25 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.493 ' O ' ' C ' ' A' ' 54' ' ' GLY . 30.1 m-85 -72.43 67.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.11 49.18 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 46.32 59.16 5.38 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 53' ' ' PHE . 16.9 m-20 -119.59 111.82 18.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 37.1 t -56.93 -53.19 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -54.96 -60.36 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -45.45 -60.17 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.0 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.61 -55.83 4.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.0 -31.19 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 m -91.72 -50.97 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 60.9 mt -55.23 -53.06 60.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.9 -43.1 13.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.37 -179.71 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.633 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 72.24 26.56 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.612 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.05 -49.64 3.8 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.444 1.09 . . . . 0.0 111.039 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 140.73 44.89 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.66 150.94 26.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 110.019 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 mt -45.4 157.28 0.37 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 137.59 21.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -20.1 17.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.782 . . . . 0.0 111.034 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.21 86.97 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 75' ' ' LEU . 2.1 pt? -144.33 -46.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -136.59 145.4 44.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.247 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.3 t80 46.86 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.6 p -64.14 131.24 46.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.47 -170.29 23.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.123 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 101.03 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.9 t -138.57 114.36 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.8 m 50.19 98.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.47 113.81 12.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.994 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m 63.94 164.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.032 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.82 166.14 23.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.23 121.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 109.969 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 p -74.74 138.29 42.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.45 147.86 18.77 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.7 m120 59.48 95.84 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.41 11.87 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 45.22 46.71 10.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.591 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.6 mtt -37.78 144.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.454 ' O ' ' N ' ' A' ' 14' ' ' LEU . 3.6 m0 -62.43 -62.18 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 108.056 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.57 ' CD1' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER 66.84 -74.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.001 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 13' ' ' TRP . 5.4 mp -61.12 83.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 13' ' ' TRP . 16.0 tt0 -111.86 -14.24 13.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 176.23 107.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 18' ' ' ASP . . . -107.84 -47.81 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.544 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 159.93 -50.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 18' ' ' ASP . 18.2 Cg_endo -75.02 -36.65 2.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 51.82 87.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -126.3 -60.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -77.71 106.21 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t -152.87 -61.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -126.24 96.21 4.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -79.76 116.58 20.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -162.63 98.73 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.7 t -172.62 131.97 0.66 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.472 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.0 -164.77 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.07 165.08 26.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -57.46 9.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.2 tt0 -49.73 -68.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' GLU . 36.0 p -36.71 -51.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.5 mt -64.4 -47.2 90.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' GLU . 23.2 m-20 -58.08 -46.79 84.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -58.65 -31.0 67.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.48 HD23 ' CE ' ' A' ' 39' ' ' MET . 12.6 mt -69.97 -58.42 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' GLY . 77.0 t -42.32 -45.94 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.91 -60.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.48 ' CE ' HD23 ' A' ' 36' ' ' LEU . 72.7 mtm -47.42 -34.67 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 37' ' ' VAL . . . 121.83 56.62 0.21 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.944 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 41.8 m-85 -140.02 114.32 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' THR . 5.6 m-20 -39.62 131.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -37.18 -59.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.419 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.1 t -40.66 -53.1 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.421 ' CG1' HD21 ' A' ' 64' ' ' LEU . 2.5 t -57.58 -43.52 83.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -60.49 -50.84 71.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.74 -40.18 96.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.463 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -69.14 -37.36 78.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -61.98 -63.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.472 HD13 ' CB ' ' A' ' 28' ' ' PRO . 3.9 mt -43.28 -41.35 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.0 mtt85 -64.12 -41.88 97.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 46.9 t -58.42 -58.75 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 60' ' ' ALA . 22.0 m-85 -86.4 42.71 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 70.08 -58.47 0.8 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 163.21 41.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -102.93 132.88 48.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.9 t -73.85 -44.94 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -63.68 -54.93 27.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.417 HD21 ' N ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -50.53 -49.67 55.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.562 ' HA ' ' CE1' ' A' ' 53' ' ' PHE . . . -60.26 -60.19 4.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.11 -53.68 19.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.68 -46.09 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.6 m -80.38 -55.7 4.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.399 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 36.6 mt -44.55 -42.06 6.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.56 -58.95 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.44 77.85 2.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.599 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 178.73 -66.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.578 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.31 64.67 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.77 60.95 5.08 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.46 161.38 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.5 mt -92.88 163.45 25.62 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 146.67 32.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.996 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.15 2.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.454 1.765 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.65 83.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.03 -58.47 1.98 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -86.26 112.33 21.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 60.75 97.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 m -83.01 162.5 21.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.94 -162.76 11.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.05 42.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.3 t -132.32 -57.66 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.2 p 178.95 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 p -62.17 -58.61 7.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 0.78 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.36 129.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.02 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.53 -75.88 2.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 p -46.9 162.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 110.032 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.39 125.4 44.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.976 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.29 163.98 13.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.552 1.157 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -161.39 99.87 1.24 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.438 0.728 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 149.21 36.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.544 1.813 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 11' ' ' MET . 67.4 m80 -86.27 46.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.589 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 10' ' ' HIS . 18.4 mtt -36.2 -44.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.529 ' CG ' ' O ' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -76.27 90.3 3.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 107.974 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -97.61 65.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.15 76.57 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -122.92 126.34 47.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -137.29 129.01 28.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.18 -61.23 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.56 132.41 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.36 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -167.19 112.67 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -121.08 105.68 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -112.09 -50.39 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.55 139.82 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.067 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.86 140.15 52.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -47.04 118.61 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -166.33 171.31 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.66 150.71 0.12 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 162.19 37.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.01 146.17 27.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -38.91 -59.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' ASN . 49.1 mt-10 -45.86 -65.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.418 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 48.7 m -39.53 -34.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.963 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.417 HD11 ' CG ' ' A' ' 47' ' ' GLU . 27.7 mt -81.29 -46.08 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' GLU . 70.4 m-20 -59.9 -39.79 86.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -65.52 -27.54 68.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.604 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 11.7 mt -76.26 -53.55 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 76.8 t -43.52 -38.81 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.85 -60.54 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.604 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 40.5 mtm -44.63 -34.44 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.563 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.22 61.2 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 26.1 m-85 -148.0 115.28 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.793 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' THR . 11.7 m-20 -40.95 132.01 2.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.0 OUTLIER -37.54 -55.16 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 110.452 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -46.59 -51.63 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 5.2 t -58.17 -40.75 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -57.76 10.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' CG ' HD11 ' A' ' 33' ' ' ILE . 7.2 mt-10 -54.4 -52.98 60.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.479 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -60.27 -48.65 80.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -49.4 -65.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.0 mt -41.2 -66.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -38.16 -46.68 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 21.5 t -57.6 -73.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 29.8 m-85 -69.73 64.72 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 29.56 51.2 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 39.52 69.64 0.41 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -131.25 101.93 5.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 41.6 t -43.85 -42.92 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' LEU . 1.3 tt0 -63.45 -71.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.416 ' N ' HD22 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -40.11 -54.57 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.567 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -53.36 -61.32 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.65 -57.93 6.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -39.17 -34.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.5 m -91.13 -54.98 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.387 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.571 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 23.5 mt -48.44 -34.31 10.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.6 -49.25 10.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -58.36 -73.59 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -40.36 -60.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 122.57 39.99 0.52 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.09 -45.31 1.39 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 m -64.22 135.79 56.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 23.9 mt -87.41 161.44 45.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 127.57 10.83 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.469 1.773 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.4 18.02 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.525 1.802 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -174.19 99.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.591 ' CD2' ' N ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -128.1 -41.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.591 ' N ' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 28.68 89.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 78' ' ' SER . 4.9 t80 -69.98 147.07 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.585 ' O ' ' CE2' ' A' ' 77' ' ' PHE . 29.4 t -83.22 126.32 32.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 177.02 172.01 41.18 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.12 25.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.58 121.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 t -150.72 130.16 12.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.2 -57.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.23 159.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.97 167.56 39.77 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.67 162.79 24.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 110.007 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.01 133.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.88 150.61 13.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -148.71 148.19 27.14 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 148.02 34.67 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' MET . 66.0 m-70 -85.79 46.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' HIS . 36.0 mtp -36.42 145.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER 42.19 82.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 107.996 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -43.61 -51.56 6.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 108.012 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -150.43 21.43 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 13.0 pt20 45.25 -163.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -140.3 166.31 25.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -164.47 -50.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.77 141.93 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -58.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.41 1.742 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -156.32 -57.84 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -179.62 -46.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -175.44 -56.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.71 170.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 62.36 148.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.03 169.74 7.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.68 63.43 2.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.2 m -135.82 156.82 77.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.437 ' CB ' HD12 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.0 -179.96 5.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.771 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -125.24 151.13 46.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' A' ' 34' ' ' ASN . 1.1 tp60 -39.36 -41.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.491 ' CB ' ' OE1' ' A' ' 35' ' ' GLN . 4.5 mt-10 -55.86 -78.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.445 ' HA ' ' NE2' ' A' ' 35' ' ' GLN . 6.0 m -36.51 -50.28 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.043 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.9 mt -58.43 -51.02 76.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLU . 93.1 m-20 -60.98 -47.12 87.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.491 ' OE1' ' CB ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -57.84 -28.5 64.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.595 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.2 mt -73.21 -54.14 9.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.5 t -46.28 -42.1 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.08 -50.62 35.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.595 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 56.5 mtm -57.34 -32.86 67.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.509 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 122.36 54.91 0.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 12.4 m-85 -140.92 112.5 7.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' THR . 1.0 OUTLIER -40.09 131.15 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.2 m -36.42 -56.57 0.79 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.422 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.4 t -45.18 -51.95 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 7.2 t -58.68 -39.93 77.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.31 -52.5 61.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.57 -51.0 71.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.486 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -62.36 -49.09 76.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -49.41 -67.29 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.5 mt -40.25 -67.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -36.95 -46.31 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.486 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 22.9 t -58.95 -75.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.523 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 24.4 m-85 -68.16 64.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.05 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 29.21 48.22 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 43.79 68.67 0.8 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -130.8 100.02 5.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.429 ' CG2' ' OG ' ' A' ' 32' ' ' SER . 79.2 t -41.83 -44.19 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -62.27 -71.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' GLN . 0.6 OUTLIER -40.2 -48.52 2.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.523 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -58.36 -59.76 4.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 63' ' ' THR . . . -52.67 -56.85 12.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.3 -27.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.414 ' N ' ' C ' ' A' ' 61' ' ' ALA . 49.0 m -96.07 -48.16 5.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 18.9 mt -58.68 -51.87 68.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.64 -56.05 26.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -41.92 -68.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.614 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -47.76 -69.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.616 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.45 51.0 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.69 61.34 2.31 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.11 148.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.3 mt -85.74 161.24 51.17 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.438 ' HG2' ' CB ' ' A' ' 75' ' ' LEU . 18.4 Cg_endo -75.0 145.74 31.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -23.9 13.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.48 89.89 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' CB ' ' HG2' ' A' ' 72' ' ' PRO . 1.3 tp -107.42 -53.45 2.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -118.77 73.51 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -91.36 172.93 8.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -114.09 -176.22 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.43 98.52 1.09 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 82' ' ' SER . 18.5 Cg_endo -74.95 -35.93 2.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.485 1.781 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.5 m 56.35 -87.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -105.31 -56.06 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.22 149.51 10.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 t -158.44 129.02 6.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.02 89.92 1.02 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.49 109.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.02 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -173.53 152.14 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.35 129.06 6.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -162.61 99.88 1.09 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 117.33 4.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -49.43 -34.35 16.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.646 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.3 mtt 57.23 161.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -133.16 -54.7 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 108.009 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.416 ' CE3' ' HA ' ' A' ' 13' ' ' TRP . 0.3 OUTLIER 178.81 -74.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.8 mt -118.61 102.38 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -108.23 -25.52 11.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' ALA . 11.1 t0 -59.94 -33.42 71.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ASP . . . 40.06 79.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.24 121.82 11.37 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -42.84 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -38.83 -61.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.335 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -40.8 -55.5 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -71.08 87.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -176.33 161.95 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.964 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.1 mtt-85 56.18 171.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -111.27 103.47 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -169.77 116.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t 62.47 151.48 0.11 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.977 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -178.92 4.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m -124.1 152.98 42.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -46.35 -38.56 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.445 ' OE1' ' NE2' ' A' ' 35' ' ' GLN . 7.3 tp10 -63.81 -69.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.459 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 26.5 m -40.54 -33.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.47 ' CD1' ' HG2' ' A' ' 47' ' ' GLU . 58.5 mt -80.74 -45.97 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' GLU . 89.4 m-20 -61.44 -40.67 95.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.445 ' NE2' ' OE1' ' A' ' 31' ' ' GLU . 18.2 mm-40 -64.27 -26.5 68.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.587 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.0 mt -75.99 -58.36 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.9 t -43.74 -45.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.8 -50.3 10.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.587 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 59.5 mtm -57.49 -40.4 78.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.549 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 131.21 56.68 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.567 ' CD2' HD12 ' A' ' 64' ' ' LEU . 12.5 m-85 -143.04 114.91 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' VAL . 2.1 m-20 -40.84 131.36 2.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.2 m -37.71 -54.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.0 t -46.81 -50.62 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 6.2 t -59.25 -41.99 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.39 -56.85 14.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.47 ' HG2' ' CD1' ' A' ' 33' ' ' ILE . 6.3 mt-10 -59.14 -50.81 72.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.342 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 51' ' ' ARG . . . -59.34 -50.02 75.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -48.44 -55.23 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 54' ' ' GLY . 4.4 mt -51.92 -24.28 6.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -83.01 -26.26 31.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 49' ' ' ALA . 20.1 t -78.92 -47.27 23.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 44.3 m-85 -95.73 41.69 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 68.63 -58.92 0.48 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 163.71 41.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -105.76 118.5 36.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 13.9 t -61.24 -42.75 94.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -62.33 -63.14 1.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -40.61 -50.96 3.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.551 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -54.81 -59.56 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.452 ' CB ' ' HE3' ' A' ' 39' ' ' MET . . . -53.71 -58.26 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.03 -31.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.407 ' N ' ' C ' ' A' ' 61' ' ' ALA . 3.1 m -88.65 -54.33 4.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.396 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.567 HD12 ' CD2' ' A' ' 41' ' ' PHE . 34.2 mt -54.23 -53.44 53.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.59 -56.05 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -40.69 -51.59 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.589 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -93.62 -162.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.593 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.83 68.68 0.86 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 44.08 63.58 2.27 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.3 m -164.11 135.96 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.33 160.15 25.87 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.454 ' HG2' ' CB ' ' A' ' 75' ' ' LEU . 18.1 Cg_endo -75.02 144.34 30.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -24.2 13.05 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.487 1.783 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.99 91.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.454 ' CB ' ' HG2' ' A' ' 72' ' ' PRO . 1.8 tp -115.19 -47.96 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -107.59 119.64 39.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.18 140.7 47.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.9 m -114.83 151.09 34.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.79 -75.86 0.19 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.41 5.64 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.806 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.5 p -149.64 158.5 44.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.69 107.21 18.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.95 164.04 33.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.976 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -95.18 155.22 16.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.52 101.7 0.48 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m 62.62 131.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 0.735 . . . . 0.0 109.941 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 t -151.86 122.8 7.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.79 -114.68 0.62 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -52.1 130.93 40.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 137.91 22.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -48.75 -37.47 19.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.586 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.7 mtp 53.17 92.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.458 ' CZ2' ' HB2' ' A' ' 17' ' ' ALA . 95.9 m95 -68.2 -71.87 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 108.016 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 74.13 133.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.1 mt 47.55 94.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 70.16 120.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.93 168.55 9.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.458 ' HB2' ' CZ2' ' A' ' 12' ' ' TRP . . . -46.08 -58.7 3.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -134.21 97.28 15.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -54.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.791 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -128.74 77.98 1.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -134.3 127.11 31.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -42.09 115.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.78 107.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.975 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -85.65 141.04 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -51.69 160.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.31 174.97 13.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.21 164.45 0.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.05 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.468 ' CB ' HD11 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.02 175.34 11.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.34 147.11 42.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.87 -33.93 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' ASN . 23.2 mt-10 -65.31 -71.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.412 ' OG ' ' CG2' ' A' ' 57' ' ' VAL . 2.4 m -40.72 -35.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.406 HG13 ' CD1' ' A' ' 50' ' ' LEU . 44.0 mt -75.54 -46.45 37.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' GLU . 57.3 m-20 -63.49 -42.9 98.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -61.76 -28.66 69.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.617 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -74.47 -54.28 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 79.1 t -46.32 -37.57 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -57.63 -54.9 41.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.617 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 32.9 mtm -50.31 -36.89 33.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 125.82 57.92 0.16 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 26.7 m-85 -146.98 113.22 5.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 0.765 . . . . 0.0 111.043 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' PHE . 5.3 m-20 -40.61 134.43 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.496 ' CG2' ' OE2' ' A' ' 47' ' ' GLU . 1.2 m -40.16 -59.06 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.421 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.5 t -41.46 -51.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 4.6 t -60.31 -41.7 88.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -62.45 -55.09 30.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.496 ' OE2' ' CG2' ' A' ' 43' ' ' THR . 4.1 mt-10 -59.57 -50.69 72.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.3 -48.99 79.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -50.17 -55.37 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 28' ' ' PRO . 6.1 mt -52.8 -21.58 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.68 -24.61 25.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 49' ' ' ALA . 16.3 t -80.13 -42.99 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.574 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 32.2 m-85 -102.37 44.07 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 68.16 -60.44 0.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 165.93 41.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.424 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.6 m120 -105.52 124.98 50.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.412 ' CG2' ' OG ' ' A' ' 32' ' ' SER . 81.0 t -67.15 -43.31 88.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -58.28 6.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -45.0 -39.23 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.574 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -70.27 -62.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.465 ' CB ' ' HE2' ' A' ' 39' ' ' MET . . . -48.02 -46.77 33.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.69 -39.82 25.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -78.96 -47.92 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 41.3 mt -57.91 -60.87 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.9 -54.61 12.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -51.57 -79.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.601 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -40.55 -83.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.594 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 165.49 41.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.52 -34.84 3.88 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 99.8 p -74.4 142.6 45.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.729 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.5 mt -69.6 162.75 65.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.481 ' HG2' ' CD2' ' A' ' 75' ' ' LEU . 18.2 Cg_endo -75.02 115.39 4.27 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -12.78 21.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.536 1.809 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -90.22 -56.55 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -59.12 -45.33 91.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.455 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 3.2 pp0? -138.11 120.94 16.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -115.34 -175.23 2.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.44 70.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 121.86 94.65 1.29 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 82' ' ' SER . 18.3 Cg_endo -75.02 63.16 5.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.51 -70.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.977 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.4 OUTLIER 60.69 78.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.945 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.117 . . . . 0.0 111.013 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -123.56 139.57 53.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.88 158.85 26.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.74 -167.52 37.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 m -142.16 162.28 35.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 0.79 . . . . 0.0 109.966 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 p -122.44 138.97 54.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.39 -117.21 3.14 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 58.44 95.37 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.09 19.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.481 1.779 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -50.65 -41.9 55.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.592 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.496 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 7.1 mtt 59.56 156.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.496 ' CD1' ' O ' ' A' ' 11' ' ' MET . 21.0 m95 -153.39 -171.33 3.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' LEU . 38.5 p90 -124.93 -61.47 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.433 HD12 ' CE3' ' A' ' 12' ' ' TRP . 8.3 mp 39.36 45.97 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 64.82 100.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -170.83 93.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.49 -65.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 51.06 96.27 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -51.04 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.445 1.76 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' ASN . 12.5 pt-20 -126.13 -43.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 t30 70.12 -63.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.3 t-20 -161.19 113.07 1.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.1 106.58 8.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -52.69 157.67 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -116.96 83.92 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 47.39 82.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.3 p -158.78 83.6 2.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' CB ' HD11 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.01 155.67 42.88 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.44 1.758 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.58 145.51 27.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.94 -43.78 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.502 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 16.5 tt0 -60.13 -46.03 91.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.3 m -60.08 -35.89 76.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.9 mt -78.34 -44.62 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -64.38 -38.68 91.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 31' ' ' GLU . 5.7 mm-40 -66.56 -26.43 67.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.578 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -76.14 -56.8 4.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.2 t -47.0 -37.04 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.39 -47.9 56.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.578 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 67.2 mtm -61.79 -35.19 77.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 127.79 53.8 0.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 13.2 m-85 -138.33 111.04 7.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' VAL . 9.3 m-20 -39.09 131.54 1.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.1 m -36.45 -54.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.2 t -48.76 -49.93 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 10.8 t -59.16 -40.79 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.07 -57.53 10.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -54.65 -51.63 64.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.475 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -61.69 -51.02 70.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -47.05 -62.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.0 mt -44.4 -66.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' LEU . 35.9 mtt180 -38.26 -44.0 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 16.7 t -59.63 -74.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 26.0 m-85 -69.45 65.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.72 44.16 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 53.76 59.37 9.89 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' PHE . 2.0 m120 -119.28 97.53 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.424 ' N ' HD21 ' A' ' 50' ' ' LEU . 37.6 t -40.53 -44.43 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -63.41 -73.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 0.5 OUTLIER -41.06 -28.94 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.566 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -75.63 -51.03 13.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 58' ' ' GLN . . . -69.82 -51.89 29.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.511 ' CG ' ' N ' ' A' ' 63' ' ' THR . 6.3 pt20 -37.58 -47.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.345 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.511 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 1.1 m -77.54 -53.91 7.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 77.4 mt -48.59 -58.02 5.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.28 -52.09 17.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.29 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.603 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -48.81 -56.48 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.584 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 143.68 -15.08 2.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.56 39.04 0.55 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -122.47 -2.65 8.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.995 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.474 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 4.4 mt 67.64 155.66 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.474 ' HD2' ' CD2' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.03 136.29 20.14 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.76 14.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.452 1.764 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -156.08 54.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.546 HD13 ' N ' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -37.81 -92.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.42 76.55 9.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.238 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.2 t80 39.64 83.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 t -92.56 -61.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 105.85 93.29 2.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 79.61 2.63 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.54 1.811 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.95 -56.41 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.978 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.2 m 59.96 98.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.989 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 p -167.42 121.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 0.8 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.27 133.07 30.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.985 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.61 173.79 18.87 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 p -131.87 170.33 15.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 p -120.56 130.4 54.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.05 166.05 2.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -139.8 127.98 13.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 135.38 19.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.047 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -41.46 61.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 11.2 mtp 60.62 145.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -143.6 -171.54 3.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.008 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.422 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.6 OUTLIER 179.38 -59.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 107.988 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.459 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -150.09 -170.31 3.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 170.58 7.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -143.82 169.85 17.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ASP . . . -124.89 91.96 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' ALA . 2.1 p30 -40.38 101.11 0.23 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -1.35 11.11 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 71.78 62.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.252 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 173.91 90.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -121.63 -48.12 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' GLN . 25.2 m 58.52 171.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -61.37 82.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 23' ' ' SER . 1.6 mt-30 176.94 128.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.237 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 72.13 -178.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.57 164.29 0.25 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.56 7.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.442 1.759 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.63 172.61 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.81 -46.69 87.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' ASN . 0.8 OUTLIER -52.86 -76.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.452 ' CB ' ' CG2' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -36.2 -59.38 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.467 HD11 ' CG ' ' A' ' 47' ' ' GLU . 14.5 mt -52.29 -47.47 45.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' GLU . 12.1 m-20 -61.87 -52.6 63.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -52.35 -28.63 20.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.524 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.1 mt -72.57 -57.52 4.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.414 HG22 ' OG1' ' A' ' 43' ' ' THR . 78.4 t -41.62 -44.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.97 -55.54 5.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.524 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 49.1 mtm -51.83 -33.31 35.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.13 54.88 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 64' ' ' LEU . 44.0 m-85 -140.32 112.81 7.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.773 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' PHE . 3.9 m-20 -39.6 132.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -38.1 -58.66 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.4 t -42.4 -51.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 10.8 t -59.5 -39.84 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -64.7 -49.48 70.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.467 ' CG ' HD11 ' A' ' 33' ' ' ILE . 4.0 mt-10 -62.05 -48.99 77.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.474 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -64.79 -47.17 79.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -51.03 -64.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.8 mt -42.34 -63.48 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -40.05 -44.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.312 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 22.6 t -59.26 -73.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.174 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 25.2 m-85 -69.77 67.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 27.51 52.25 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 42.18 57.24 3.7 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' PHE . 2.5 m120 -117.22 105.49 12.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.452 ' CG2' ' CB ' ' A' ' 32' ' ' SER . 23.5 t -49.61 -52.09 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -56.27 -68.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.5 OUTLIER -39.47 -60.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.554 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -47.57 -64.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -47.03 -58.11 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -38.33 -32.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' ALA . 5.5 m -95.46 -51.84 4.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 13.1 mt -50.57 -36.01 32.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.57 -51.82 25.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.67 76.09 6.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -176.79 -63.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.585 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 141.25 -15.02 2.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.34 31.53 5.83 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.8 t -118.87 -3.45 10.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 0.801 . . . . 0.0 109.974 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mt 61.09 155.06 0.11 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 133.53 16.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -18.96 18.18 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.7 85.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -114.79 -58.73 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.41 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -81.26 83.63 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -133.37 128.07 34.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.7 t -133.88 149.95 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.97 -98.46 1.57 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 148.29 35.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.2 t -147.13 137.57 23.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 t -115.03 150.42 35.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -76.99 142.34 40.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -83.87 -58.5 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.54 65.01 1.47 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.96 -59.58 1.88 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 0.773 . . . . 0.0 110.031 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 t -74.72 -59.58 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.75 102.44 0.82 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -104.94 137.01 19.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 149.35 36.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.512 1.796 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' MET . 32.2 m170 -86.41 46.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.606 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' HIS . 28.4 mtt -36.29 143.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.3 p90 -118.66 107.15 13.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 107.998 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 22.9 p90 -98.39 64.22 1.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 107.979 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -146.6 121.81 10.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -97.67 123.6 41.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -79.36 142.27 36.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -163.62 -61.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 49.97 95.12 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -45.39 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.34 110.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.253 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -150.43 132.59 15.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.21 96.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -167.73 -45.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 166.18 9.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 63.01 145.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.82 132.08 41.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.376 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.53 160.8 31.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.456 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.93 174.95 11.89 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.518 1.799 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.49 151.89 30.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.1 -40.06 22.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' ASN . 2.7 tp10 -61.24 -68.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.432 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 63.8 m -40.94 -34.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.425 HD11 ' CG ' ' A' ' 47' ' ' GLU . 41.3 mt -77.31 -45.97 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' GLU . 43.7 m-20 -63.4 -42.03 98.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -62.57 -30.24 71.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.593 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -72.46 -57.96 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.9 t -43.88 -42.74 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.62 -49.31 27.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.593 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 55.2 mtm -57.91 -35.66 71.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.524 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 125.53 55.54 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 12.4 m-85 -141.59 114.57 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 0.786 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 43' ' ' THR . 5.8 m-20 -40.4 130.28 2.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.422 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.1 m -36.75 -56.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.3 t -45.27 -51.95 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.525 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 4.8 t -57.92 -41.19 79.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.86 -58.88 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' CG ' HD11 ' A' ' 33' ' ' ILE . 7.0 mt-10 -50.71 -54.19 25.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 51' ' ' ARG . . . -61.58 -55.72 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -39.98 -47.62 2.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.5 mt -60.77 -51.47 69.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -52.75 -24.98 9.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.8 t -80.75 -73.89 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 17.6 m-85 -73.2 67.99 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.569 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 21.45 60.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 37.71 60.62 1.2 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 53' ' ' PHE . 2.4 m120 -118.82 92.71 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 39.5 t -39.86 -49.29 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.81 -67.79 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.43 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -43.43 -43.97 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.576 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -59.49 -58.45 8.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -53.43 -59.07 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -38.27 -30.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 61' ' ' ALA . 3.2 m -93.97 -57.41 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.399 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 73.3 mt -48.04 -42.03 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.02 -64.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -41.64 -66.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.613 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.05 -65.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.604 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 122.91 41.74 0.43 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.12 62.02 1.38 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 p 179.18 163.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.036 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 mt -105.17 164.19 15.61 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 152.5 40.64 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.84 20.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.12 116.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.524 ' CD1' ' CE1' ' A' ' 53' ' ' PHE . 2.7 pt? -132.14 -50.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.428 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -83.76 100.47 10.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -48.02 100.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.33 166.06 3.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.05 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.52 88.03 1.46 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -171.81 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.0 p -100.09 163.81 12.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 110.006 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.8 m -83.37 129.01 34.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 p -107.22 148.82 28.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 109.987 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -175.78 125.22 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.56 -179.04 22.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 40.53 91.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m 60.13 79.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.4 172.86 17.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -102.33 110.87 63.74 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.257 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -24.91 12.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 43.68 48.05 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.606 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.5 mtp -38.36 158.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.507 ' CG ' ' OD2' ' A' ' 16' ' ' ASP . 0.9 OUTLIER 42.06 85.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 107.976 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.9 p90 -56.86 -32.49 65.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 108.022 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.5 mt -141.04 -170.11 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -41.09 103.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.507 ' OD2' ' CG ' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -47.49 171.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 18' ' ' ASP . . . -119.29 -58.1 1.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' ALA . 0.9 OUTLIER 59.0 157.69 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -37.04 2.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.782 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -86.04 70.2 10.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 t30 178.35 93.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.21 -54.99 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 97.5 p -171.93 116.9 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -50.5 130.86 24.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.12 92.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.274 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 41.15 78.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.79 96.18 0.55 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 163.5 35.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.78 153.66 22.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.75 -37.57 6.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -62.94 -70.81 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.465 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 12.7 m -39.69 -40.7 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.407 HD11 ' CG ' ' A' ' 47' ' ' GLU . 30.2 mt -71.24 -46.55 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLU . 13.9 m-20 -62.27 -44.72 95.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -60.57 -28.86 68.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.256 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' CD2' ' HE3' ' A' ' 39' ' ' MET . 12.2 mt -74.38 -57.06 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' LEU . 53.7 t -40.07 -45.02 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.33 -64.93 0.63 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.494 ' HE3' ' CD2' ' A' ' 36' ' ' LEU . 2.1 mtp -42.28 -34.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.602 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.39 71.7 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 55.6 m-85 -158.57 113.72 2.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' THR . 9.3 m-20 -39.94 131.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -36.32 -60.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -41.45 -54.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 5.9 t -56.95 -40.13 70.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -63.62 -51.78 63.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.407 ' CG ' HD11 ' A' ' 33' ' ' ILE . 6.4 mt-10 -60.73 -50.62 72.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.479 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -62.3 -47.69 83.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.138 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -50.01 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.477 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.1 mt -41.88 -64.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.234 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -38.75 -44.31 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 21.8 t -60.89 -75.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.58 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 22.1 m-85 -68.12 67.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 27.99 54.97 0.12 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 38.19 59.96 1.41 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.429 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 2.4 m120 -121.28 110.13 15.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 61.4 t -52.64 -57.18 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -51.33 -67.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.248 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.429 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -39.73 -71.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.58 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -41.33 -60.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.483 ' CB ' ' HE3' ' A' ' 39' ' ' MET . . . -48.09 -45.87 33.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 63' ' ' THR . 0.4 OUTLIER -47.84 -48.38 30.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 2.2 m -80.15 -44.14 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.444 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 12.0 mt -56.28 -29.93 61.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 61' ' ' ALA . . . -81.34 -52.92 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -50.1 -58.5 5.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.58 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -56.82 8.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.585 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.54 51.9 0.89 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 70' ' ' SER . . . 68.88 107.07 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 69' ' ' GLY . 2.6 t 157.35 -23.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mt 60.57 155.15 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.443 ' HG2' ' CB ' ' A' ' 75' ' ' LEU . 18.4 Cg_endo -75.02 145.26 31.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.67 13.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.1 89.66 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.443 ' CB ' ' HG2' ' A' ' 72' ' ' PRO . 1.2 tp -107.62 -56.88 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -128.63 74.7 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 11.5 t80 42.51 87.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.4 m -110.08 -59.9 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -169.59 -177.56 40.18 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.437 1.085 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.19 4.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.8 t 66.67 122.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.5 m -103.23 169.91 8.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.043 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m 62.13 130.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 0.801 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -162.86 136.19 5.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.38 155.36 8.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -138.43 149.96 46.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.793 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.41 -60.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.034 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.96 -176.72 27.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.128 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -167.39 137.18 2.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 139.4 24.32 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -35.18 75.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 0.0 109.592 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.7 mtt 54.59 106.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -126.56 56.48 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 107.96 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.443 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 35.3 p90 -153.04 -55.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' A' ' 13' ' ' TRP . 8.4 mp 38.15 39.87 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.4 129.45 39.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -166.06 160.29 16.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.26 102.41 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -47.05 108.58 0.89 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.37 3.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.774 . . . . 0.0 111.012 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -76.6 69.57 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.6 t30 66.87 108.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.352 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -102.69 122.43 44.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 t 60.67 149.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -87.19 85.9 7.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -135.17 155.0 51.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.88 85.42 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -173.87 123.03 0.4 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.021 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 164.43 33.28 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 p -98.05 139.86 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' ILE . 1.1 tp60 -38.45 -65.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 18.1 mt-10 -40.62 -44.78 2.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.25 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 m -60.2 -45.44 93.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.938 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 30' ' ' GLN . 20.3 mt -70.33 -46.67 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -60.91 -41.7 96.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 31' ' ' GLU . 5.8 mm-40 -63.68 -26.77 68.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.487 HD21 ' CE ' ' A' ' 39' ' ' MET . 11.3 mt -74.89 -58.27 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 77.8 t -41.18 -43.36 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.59 -59.2 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.487 ' CE ' HD21 ' A' ' 36' ' ' LEU . 69.6 mtm -49.4 -32.7 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.95 58.16 0.25 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 33.0 m-85 -141.24 115.47 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 43' ' ' THR . 86.4 m-20 -40.28 130.0 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.1 m -36.7 -55.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 m -44.88 -55.73 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 49' ' ' ALA . 6.3 t -55.72 -39.71 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.25 -51.18 68.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -65.17 -43.53 91.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.472 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -65.73 -40.15 91.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -59.48 -66.35 0.53 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' GLY . 2.5 mt -41.67 -43.97 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -60.84 -44.23 97.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 42.3 t -57.09 -57.5 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.567 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 20.4 m-85 -87.61 40.56 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 69.68 -58.51 0.71 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.66 42.11 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.412 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.4 m120 -101.55 112.25 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 t -54.94 -40.7 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -68.01 -65.5 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.422 ' N ' HD22 ' A' ' 59' ' ' LEU . 0.5 OUTLIER -39.67 -46.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.567 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -59.94 -61.57 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.472 ' HB1' ' CE ' ' A' ' 39' ' ' MET . . . -51.11 -54.95 20.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.92 -34.63 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.3 m -90.11 -56.3 3.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 82.2 mt -47.21 -48.13 24.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.47 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -40.8 -62.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.587 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -55.51 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.612 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.91 -14.23 3.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 114.16 19.07 6.46 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.7 t -107.66 -3.6 19.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.464 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 3.3 mt 63.5 154.97 0.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.534 ' HG2' ' CD2' ' A' ' 75' ' ' LEU . 18.3 Cg_endo -75.03 129.93 12.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.81 19.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -63.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.534 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 0.3 OUTLIER -70.99 -41.85 70.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.457 ' CB ' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -105.43 79.62 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.46 123.03 11.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.48 78.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.33 104.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 147.31 33.67 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.5 t -56.55 108.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.58 84.02 1.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 65.35 113.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.67 156.6 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.23 111.15 1.44 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.82 164.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.65 -61.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.56 55.09 0.15 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 176.26 125.36 0.16 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 149.72 37.16 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 11' ' ' MET . 14.6 p-80 -86.6 46.0 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.55 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 13' ' ' TRP . 49.4 mtp -36.35 -61.28 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' MET . 16.7 m0 40.7 -98.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 107.972 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' MET . 27.4 t-105 78.39 -70.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 107.989 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.6 mt -138.37 54.28 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.01 173.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.61 88.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.3 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 173.47 122.18 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -60.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 40.93 71.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -178.18 155.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 174.43 97.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m 59.93 98.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.064 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.27 90.06 6.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -46.84 133.31 10.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 76.31 -177.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.0 p -40.67 156.32 0.19 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.404 ' CB ' HD11 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.05 157.66 42.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.784 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' GLN . 4.6 m -89.54 140.34 29.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.045 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 29' ' ' SER . 2.3 tp60 -38.56 -52.35 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' ASN . 9.0 mt-10 -50.16 -65.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 m -40.62 -29.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.422 ' N ' ' C ' ' A' ' 31' ' ' GLU . 32.0 mt -87.52 -45.08 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' GLU . 72.7 m-20 -61.61 -36.76 81.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -68.75 -26.18 65.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.23 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.557 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.4 mt -75.78 -52.64 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.6 t -47.56 -39.48 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -52.16 -46.77 65.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.557 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 44.8 mtm -60.42 -32.61 71.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.23 54.08 0.23 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 36.3 m-85 -140.21 116.77 10.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' VAL . 2.1 t0 -40.4 132.54 2.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.441 ' N ' ' OD1' ' A' ' 42' ' ' ASP . 1.1 m -40.94 -40.64 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 t -62.08 -47.02 95.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.491 ' CG1' HD21 ' A' ' 64' ' ' LEU . 13.1 t -59.73 -35.46 60.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.468 ' CB ' HD13 ' A' ' 36' ' ' LEU . . . -69.32 -61.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.407 ' HG2' ' CG2' ' A' ' 33' ' ' ILE . 3.3 mt-10 -50.9 -51.32 53.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 51' ' ' ARG . . . -59.51 -50.63 73.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -48.04 -52.91 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 54' ' ' GLY . 5.7 mt -56.42 -24.31 44.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -81.91 -24.52 35.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.5 t -78.53 -55.53 9.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 18.7 m-85 -90.4 44.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 67.97 -59.11 0.37 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 164.25 42.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.4 m120 -103.86 120.13 40.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.7 t -62.79 -41.38 92.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -61.61 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 59' ' ' LEU . 0.4 OUTLIER -42.35 -38.82 1.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.576 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -69.64 -62.65 1.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB3' ' CE ' ' A' ' 39' ' ' MET . . . -48.73 -41.48 32.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -38.28 66.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 18.0 m -86.3 -49.12 7.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.537 ' CD2' ' CD2' ' A' ' 71' ' ' LEU . 33.9 mt -58.87 -18.14 30.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 61' ' ' ALA . . . -84.78 -49.87 8.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -56.09 25.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.583 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -60.73 -87.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.618 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 135.5 44.92 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.78 48.85 2.62 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.6 m -171.21 120.4 0.51 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 0.742 . . . . 0.0 109.978 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.537 ' CD2' ' CD2' ' A' ' 64' ' ' LEU . 1.1 mm? -81.96 158.6 67.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 146.37 32.4 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.976 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -37.2 2.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -146.84 78.17 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.01 -62.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 13.2 pt20 -91.16 112.62 24.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 77' ' ' PHE . 51.3 p90 -95.43 111.06 23.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 t -170.71 82.3 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.049 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 153.39 -147.9 17.95 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -39.1 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.47 1.773 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.5 m 61.96 108.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.963 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 37.1 p -126.16 123.79 39.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.033 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 p 58.76 113.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 110.012 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.61 164.39 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.11 -175.57 37.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.69 166.96 6.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.966 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.19 164.05 33.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.29 -173.96 18.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.541 1.151 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -144.97 160.56 46.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -29.39 8.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.773 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 48.92 45.86 22.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.567 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.2 mtp -37.91 125.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -135.51 83.56 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 108.002 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -108.86 -148.45 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 108.005 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mt -113.05 -144.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -117.78 162.46 18.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -75.28 166.53 23.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.07 -61.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.46 130.38 0.41 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -52.6 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -159.52 103.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.415 ' ND2' ' H ' ' A' ' 21' ' ' ASN . 2.5 p30 -83.67 -49.0 9.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -46.32 125.37 6.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 m -127.26 147.3 50.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.86 95.81 4.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -148.37 79.43 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 55.2 169.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 t 56.67 95.36 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.961 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 164.39 33.46 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.538 1.81 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.0 m -101.37 145.79 28.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.33 -45.45 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 5.3 mm-40 -59.51 -45.71 90.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.351 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.474 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 59.8 m -59.76 -37.18 78.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 28.1 mt -77.41 -46.74 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -61.63 -39.85 92.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 31' ' ' GLU . 5.2 mm-40 -64.92 -28.17 69.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.258 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.604 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.9 mt -74.81 -60.18 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.411 HG21 ' OG1' ' A' ' 43' ' ' THR . 69.6 t -40.83 -38.73 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -55.22 -45.62 75.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.604 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 31.5 mtm -60.65 -36.09 77.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.514 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 127.54 53.66 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 15.2 m-85 -143.66 110.82 5.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 0.772 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 43' ' ' THR . 36.1 t0 -38.69 137.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.3 m -38.41 -63.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.392 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 45' ' ' VAL . 8.3 p -40.62 -54.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.501 ' N ' ' CG1' ' A' ' 44' ' ' VAL . 10.4 t -55.25 -41.63 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -63.46 -52.38 61.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' OE2' ' CG2' ' A' ' 43' ' ' THR . 4.6 mt-10 -60.33 -51.01 71.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.477 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -61.69 -47.28 86.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -51.44 -66.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.477 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.7 mt -40.09 -65.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -38.99 -46.87 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.61 ' CG1' ' CD1' ' A' ' 75' ' ' LEU . 25.0 t -57.76 -72.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.577 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 27.4 m-85 -70.26 67.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.513 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.15 52.46 0.11 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 40.42 60.41 2.03 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.432 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 2.1 m120 -120.91 104.89 10.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.474 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 21.3 t -48.53 -49.49 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' LEU . 1.5 tt0 -58.84 -68.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -39.93 -59.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.577 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -47.75 -62.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.413 ' CB ' ' HE2' ' A' ' 39' ' ' MET . . . -48.75 -56.9 7.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -38.53 -33.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.295 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.8 m -95.99 -53.78 3.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 18.5 mt -48.51 -34.21 10.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.78 -56.51 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -40.79 -55.65 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.575 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -81.05 -37.16 29.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.616 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.41 68.97 1.4 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 70' ' ' SER . . . 61.9 110.14 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 69' ' ' GLY . 2.7 t 158.06 -23.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 0.798 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 mt 64.35 164.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 126.84 10.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -10.15 21.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.55 1.816 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.78 100.39 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.61 ' CD1' ' CG1' ' A' ' 52' ' ' VAL . 2.6 pt? -134.16 -45.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -153.52 161.24 42.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.1 -47.53 3.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.58 100.62 2.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.54 95.78 0.19 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.02 8.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.752 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.2 m -154.56 152.38 29.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.0 m 49.17 79.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -157.8 156.96 32.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.754 . . . . 0.0 110.052 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.6 p -171.71 166.56 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.55 172.68 26.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.99 158.92 15.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.735 . . . . 0.0 110.027 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -111.88 169.19 9.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.83 158.23 30.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -171.07 117.6 0.45 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 144.01 30.02 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.496 1.787 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 11' ' ' MET . 12.6 p80 -84.52 48.13 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.631 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' HIS . 67.0 mtp -36.23 148.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -118.96 112.11 19.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.006 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -60.39 -59.43 5.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.0 mt -147.22 112.91 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -55.54 -18.32 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -112.78 173.19 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -162.45 69.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.238 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.19 115.64 1.97 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -57.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.535 1.808 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -171.33 -60.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -164.38 -55.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -157.1 114.13 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 t -67.47 -43.66 80.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -52.38 120.01 5.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -113.64 176.25 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.4 71.5 9.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.3 p -179.52 126.94 0.24 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.438 ' CB ' HD12 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.0 167.93 25.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 p -106.03 145.93 30.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.989 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -39.85 -42.82 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.3 tp10 -61.27 -67.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -39.97 -36.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 37.4 mt -76.08 -46.78 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLU . 8.2 m-20 -61.6 -42.89 99.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -61.36 -28.21 69.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.555 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.1 mt -73.51 -56.97 4.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 82.2 t -43.85 -41.59 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.68 -46.78 50.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.555 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 41.1 mtm -60.06 -32.28 70.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.7 53.3 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 41.3 m-85 -139.67 118.48 12.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.776 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' THR . 54.3 m-20 -43.08 130.11 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.2 m -37.87 -54.51 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.4 m -45.44 -57.15 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.468 ' CG1' HD21 ' A' ' 64' ' ' LEU . 10.7 t -55.32 -38.52 48.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.3 -49.81 74.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -67.31 -44.33 79.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.451 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -64.73 -40.1 94.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -61.85 -66.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' GLY . 5.2 mt -41.14 -42.51 2.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -44.81 95.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 49' ' ' ALA . 49.0 t -56.38 -59.39 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.577 ' CE1' ' HA ' ' A' ' 60' ' ' ALA . 17.8 m-85 -85.6 43.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 68.93 -59.03 0.53 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.459 1.099 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 163.8 41.73 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.7 m120 -99.51 129.7 45.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.794 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.2 t -73.11 -45.34 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -62.92 -54.73 34.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.418 ' N ' HD22 ' A' ' 59' ' ' LEU . 0.3 OUTLIER -46.86 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.577 ' HA ' ' CE1' ' A' ' 53' ' ' PHE . . . -43.26 -61.88 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.471 ' HB1' ' CE ' ' A' ' 39' ' ' MET . . . -46.89 -45.34 20.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.467 ' CG ' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -51.28 -48.43 62.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 1.5 m -75.26 -45.7 38.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 85.9 mt -56.96 -63.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.94 -59.72 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.72 -35.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.574 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' LEU . 15.8 m-70 -106.27 -171.41 1.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.3 39.85 2.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.63 -41.64 3.09 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.8 m -59.76 120.03 8.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.996 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.78 162.69 26.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 75' ' ' LEU . 18.3 Cg_endo -75.03 141.51 26.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.31 13.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.045 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.63 89.21 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 72' ' ' PRO . 0.8 OUTLIER -116.46 -60.57 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -121.17 118.27 29.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.98 143.77 49.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.28 125.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 160.22 157.62 8.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.69 15.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 t 179.76 109.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.7 t -160.72 -58.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.033 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.05 167.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.984 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.73 170.18 17.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.99 -141.01 3.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m 62.33 157.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.779 . . . . 0.0 109.974 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 p -137.97 167.86 20.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.21 126.02 1.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -164.02 156.38 14.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 149.54 37.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.546 1.813 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 11' ' ' MET . 2.0 p80 -86.34 46.16 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.587 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.441 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 13.1 mtm -36.59 -44.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 11' ' ' MET . 25.0 m95 -152.54 -171.37 3.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 108.024 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 69.38 126.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 mt 47.45 94.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -179.75 126.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 170.64 170.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -130.92 -58.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t0 62.56 123.51 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.59 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 67.37 101.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -171.35 133.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -177.65 167.57 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 m -130.65 138.72 50.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.031 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.75 130.29 33.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.81 103.66 13.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 56.38 76.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.1 82.35 0.21 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.4 41.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.63 149.61 21.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -43.94 -51.23 7.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' ASN . 4.1 tt0 -52.83 -66.44 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.463 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 43.7 m -39.88 -38.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.45 HD11 ' CG ' ' A' ' 47' ' ' GLU . 35.6 mt -76.25 -45.35 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLU . 54.4 m-20 -61.34 -42.46 98.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.229 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -61.28 -30.63 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.527 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 8.8 mt -71.5 -59.42 2.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.9 t -40.63 -45.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -43.73 -53.6 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.527 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 51.2 mtm -53.61 -34.36 58.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.22 56.87 0.21 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 32.8 m-85 -142.22 116.19 9.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -40.77 130.2 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.2 m -38.11 -54.87 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.9 t -45.56 -51.33 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 3.9 t -58.67 -41.5 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.03 -56.55 17.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.45 ' CG ' HD11 ' A' ' 33' ' ' ILE . 4.0 mt-10 -55.0 -53.96 49.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.47 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -59.87 -47.49 85.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -51.28 -66.96 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.0 mt -39.19 -63.58 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -41.16 -47.04 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 23.2 t -56.56 -66.78 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 33.8 m-85 -76.74 69.16 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.48 53.87 0.13 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 40.32 57.39 2.65 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.421 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 2.8 m120 -116.91 129.24 55.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 27.0 t -70.17 -62.0 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.52 -59.47 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.421 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -45.67 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.573 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -39.46 -62.06 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.465 ' HB1' ' CE ' ' A' ' 39' ' ' MET . . . -46.29 -46.16 17.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -49.64 -48.2 49.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 20.7 m -74.78 -43.28 55.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 28.2 mt -56.58 -51.21 69.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -43.14 -48.3 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.14 -175.51 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.573 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 67.5 38.58 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.86 -55.96 4.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.01 -29.99 0.54 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.04 171.58 14.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 109.967 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.9 mt -71.42 152.9 94.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 118.61 5.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -15.03 20.84 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 75' ' ' LEU . 3.3 t0 -132.25 33.29 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 74' ' ' ASP . 3.4 tt -38.11 -89.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -114.42 -20.8 10.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.07 120.05 30.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.23 83.79 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -126.46 -88.13 0.66 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 142.14 27.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.1 p -98.27 92.63 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.5 t -102.38 -58.98 1.78 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.147 . . . . 0.0 110.983 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.23 158.86 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 0.724 . . . . 0.0 110.036 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.59 108.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.967 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.04 113.27 0.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 t -105.3 -54.86 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 109.931 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -80.43 124.59 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.036 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.39 -145.99 14.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.489 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 13.7 m-80 -50.63 109.67 1.42 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.448 ' O ' ' CB ' ' A' ' 10' ' ' HIS . 18.4 Cg_endo -74.98 -26.78 10.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.489 ' CE1' ' O ' ' A' ' 8' ' ' ASN . 14.1 m80 83.84 -47.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.601 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 56.9 mtm 56.39 103.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 111.064 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.435 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 10.5 m95 -123.24 85.42 2.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 108.023 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.435 ' CD1' ' O ' ' A' ' 12' ' ' TRP . 20.3 p90 45.16 66.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 107.992 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 mt -131.51 77.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 40.53 92.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -147.44 138.63 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.04 61.17 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.522 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -85.64 179.06 2.0 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 18' ' ' ASP . 18.3 Cg_endo -75.01 -44.32 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.437 1.756 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 67.47 68.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 171.76 93.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 167.77 -51.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.1 m 43.58 61.17 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -135.39 151.04 50.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 64.1 126.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 72.71 175.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -41.19 154.24 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.04 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.461 ' HG2' ' CD1' ' A' ' 33' ' ' ILE . 18.4 Cg_endo -74.99 168.33 25.07 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.487 1.782 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 t -86.87 137.77 32.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.067 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -39.45 -43.63 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.9 tt0 -59.83 -66.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.0 m -41.96 -32.17 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.461 ' CD1' ' HG2' ' A' ' 28' ' ' PRO . 53.3 mt -80.81 -44.51 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLU . 89.3 m-20 -64.49 -40.79 96.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -63.86 -27.16 68.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.604 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -74.76 -54.58 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.4 t -47.99 -37.11 6.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -55.35 -41.22 72.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.604 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 41.6 mtm -65.86 -31.14 71.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.02 53.74 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 12.4 m-85 -141.38 118.54 11.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 0.78 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -43.46 130.56 5.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.2 m -38.0 -53.62 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.421 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.9 t -48.65 -49.51 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 16.6 t -59.48 -39.82 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.433 ' CB ' HD13 ' A' ' 36' ' ' LEU . . . -64.3 -58.62 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.46 ' CG ' HD11 ' A' ' 33' ' ' ILE . 3.9 mt-10 -51.98 -51.19 58.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.471 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -63.58 -51.47 65.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -46.68 -60.19 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.455 HD12 ' CB ' ' A' ' 28' ' ' PRO . 2.8 mt -46.37 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' LEU . 41.0 mtt180 -38.33 -41.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 12.1 t -62.12 -74.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 21.3 m-85 -70.06 65.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 27.99 44.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 49.94 65.62 2.78 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -124.43 95.62 4.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.3 t -40.17 -40.2 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -70.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.408 ' N ' HD21 ' A' ' 59' ' ' LEU . 0.7 OUTLIER -40.74 -48.28 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -58.35 -57.43 12.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.76 -58.39 7.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.55 -42.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.52 -62.37 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.374 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.57 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 40.2 mt -49.49 -56.85 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.05 -66.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -41.4 -57.27 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.623 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' GLY . 28.6 m-70 -86.43 48.47 1.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.621 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.75 -75.94 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' HIS . . . 179.86 37.54 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.5 p -129.85 132.45 46.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mt -47.64 159.88 0.42 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.504 ' HG2' ' CD2' ' A' ' 75' ' ' LEU . 18.4 Cg_endo -74.98 138.96 23.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.64 15.71 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -63.54 -80.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.504 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 2.6 pp -60.04 -46.53 89.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.71 88.3 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -55.42 -47.95 75.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.31 158.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -112.62 -148.38 10.48 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.23 7.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.811 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m 48.91 97.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.1 p -140.62 -58.06 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m 65.92 134.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.23 159.56 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.021 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.51 130.05 2.44 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.57 134.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 110.017 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.16 148.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.035 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.8 -143.94 10.87 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.522 1.139 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 63.7 93.65 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.437 0.728 . . . . 0.0 109.278 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.86 20.87 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.539 1.81 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -51.07 -43.03 60.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.562 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.4 mtp 60.62 148.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -144.86 -171.45 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 108.015 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.623 ' CD1' ' CD2' ' A' ' 14' ' ' LEU . 6.4 t90 -118.11 70.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 107.972 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.623 ' CD2' ' CD1' ' A' ' 13' ' ' TRP . 0.0 OUTLIER 28.69 -92.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 13' ' ' TRP . 2.4 mt-30 159.0 131.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.411 ' OD1' ' CZ2' ' A' ' 13' ' ' TRP . 4.0 p-10 170.9 91.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.44 76.62 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 58.87 157.93 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.25 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -152.22 -59.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -168.67 155.52 7.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -138.14 -55.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.6 165.19 13.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.028 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -107.93 55.26 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -77.99 160.07 28.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -98.68 69.3 1.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.5 p -162.92 132.06 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.434 ' CB ' HD11 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.02 160.62 39.9 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.95 151.5 24.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -40.23 -53.7 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' ASN . 17.0 tt0 -52.02 -66.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.15 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.5 m -39.42 -34.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.2 mt -81.32 -46.71 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' GLU . 61.1 m-20 -59.68 -39.86 85.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -65.5 -21.22 66.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.424 HD23 ' CE ' ' A' ' 39' ' ' MET . 11.3 mt -82.23 -60.56 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.9 t -40.31 -33.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -59.63 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.475 ' CE ' ' CB ' ' A' ' 61' ' ' ALA . 69.1 mtm -51.74 -28.68 15.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 116.62 55.92 0.32 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.13 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.57 ' CD2' HD12 ' A' ' 64' ' ' LEU . 15.4 m-85 -135.15 115.75 13.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 43' ' ' THR . 5.1 m-20 -39.95 129.79 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.1 m -37.15 -57.1 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.7 t -44.6 -52.36 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 8.6 t -57.47 -40.18 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.38 -53.7 48.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.07 -51.24 70.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.474 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -62.37 -49.0 77.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -48.12 -61.62 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.6 mt -44.62 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' LEU . 5.0 mtp180 -36.92 -43.85 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 16.1 t -60.73 -75.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.494 ' O ' ' C ' ' A' ' 54' ' ' GLY . 24.3 m-85 -69.83 67.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.494 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.34 46.2 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 44.09 66.32 1.37 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' VAL . 1.9 m-20 -124.17 96.04 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 0.804 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.418 ' N ' HD22 ' A' ' 50' ' ' LEU . 43.8 t -40.01 -42.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -63.79 -72.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' GLN . 0.7 OUTLIER -39.02 -60.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.487 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -50.05 -64.65 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.475 ' CB ' ' CE ' ' A' ' 39' ' ' MET . . . -45.62 -57.06 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -50.47 13.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -58.0 -65.93 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.57 HD12 ' CD2' ' A' ' 41' ' ' PHE . 26.7 mt -40.87 -62.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' HIS . . . -48.3 -52.09 22.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' ALA . 6.5 t-80 -38.99 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.626 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 69' ' ' GLY . 92.6 m-70 -71.57 58.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.594 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.07 -59.76 0.39 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' HIS . . . 168.05 40.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.01 159.71 40.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 0.71 . . . . 0.0 109.985 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.7 160.1 74.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.533 ' HG2' ' CD2' ' A' ' 75' ' ' LEU . 18.2 Cg_endo -75.02 128.86 11.8 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.479 1.779 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.44 21.16 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.499 1.789 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.1 -63.04 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.533 ' CD2' ' HG2' ' A' ' 72' ' ' PRO . 0.5 OUTLIER -72.58 -44.15 62.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.404 ' CB ' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -99.2 91.94 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.31 117.37 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.07 161.66 41.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.23 -145.44 4.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.137 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 59.37 5.19 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.4 m -104.66 80.35 1.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.9 t -98.73 153.19 18.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 110.958 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.93 94.96 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.765 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.13 87.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.05 -152.78 33.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -132.16 109.81 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.31 94.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.57 70.42 0.49 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -178.43 124.54 0.26 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 136.03 19.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.81 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -51.38 -39.61 57.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.657 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 34.7 mtp 56.11 164.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 16.0 m95 -99.81 -63.76 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 108.05 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 69.61 134.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 108.035 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.25 136.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -63.73 151.86 40.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -70.03 92.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -166.89 64.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -175.87 132.3 0.42 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ASN . 18.4 Cg_endo -74.97 -42.93 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 67.6 -70.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 19' ' ' PRO . 33.2 t-20 -86.19 100.02 11.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -122.74 92.52 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.4 m 41.05 81.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.79 126.95 7.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -127.03 147.84 50.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -173.51 91.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 p 60.16 158.23 0.11 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.969 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 171.94 17.34 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.6 m -102.85 144.59 30.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -40.42 -61.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASN . 13.7 mt-10 -39.67 -67.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.5 m -39.29 -39.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.45 HG13 ' CD1' ' A' ' 50' ' ' LEU . 56.2 mt -76.18 -46.24 34.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLU . 53.8 m-20 -59.65 -42.47 92.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -62.44 -36.48 82.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.592 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.4 mt -69.37 -56.33 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.1 t -45.4 -45.9 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -46.15 -53.75 9.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.592 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 57.5 mtm -52.19 -34.75 46.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.577 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 122.62 59.57 0.2 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 14.7 m-85 -143.51 120.37 11.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.783 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' THR . 10.0 m-20 -42.5 127.01 3.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -36.41 -56.46 0.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.172 . . . . 0.0 110.397 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -44.69 -51.7 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.483 ' CG1' ' CD2' ' A' ' 64' ' ' LEU . 4.9 t -59.1 -41.34 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.04 -52.29 64.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.14 -47.73 83.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.16 99.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -56.67 -61.08 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' CD1' HG13 ' A' ' 33' ' ' ILE . 6.6 mt -45.39 -37.62 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.0 mtt-85 -73.04 -34.39 66.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 49' ' ' ALA . 76.9 t -58.94 -59.56 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.589 ' CE1' ' HA ' ' A' ' 60' ' ' ALA . 61.2 m-85 -77.35 -65.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.412 ' O ' ' OD1' ' A' ' 56' ' ' ASN . . . 146.65 65.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.02 19.55 11.58 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.534 ' CB ' HD21 ' A' ' 59' ' ' LEU . 3.1 m120 -88.54 81.9 7.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' ASN . 23.7 t -38.97 -60.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -45.65 -66.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.581 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 7.0 mp -37.4 -57.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.589 ' HA ' ' CE1' ' A' ' 53' ' ' PHE . . . -55.77 -62.45 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.439 ' CB ' ' HE1' ' A' ' 39' ' ' MET . . . -44.2 -53.42 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -39.5 10.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.6 m -83.92 -61.29 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.421 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 24.6 mt -47.2 -26.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 61' ' ' ALA . . . -72.27 -71.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -43.5 -54.72 4.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.578 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -59.95 3.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.597 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 97.69 58.75 0.98 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 70' ' ' SER . . . 66.84 107.53 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 69' ' ' GLY . 2.7 t 155.81 -22.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.765 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt 60.68 158.14 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.35 43.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 111.025 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.31 20.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -172.96 117.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.463 ' CD2' HG11 ' A' ' 52' ' ' VAL . 2.4 pt? -140.43 -47.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 78' ' ' SER . 0.2 OUTLIER -143.71 170.8 15.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -38.36 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 76' ' ' GLN . 12.1 m -51.79 170.81 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.977 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -173.22 65.84 0.12 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.87 4.47 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.437 1.756 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.51 119.84 7.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.958 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.6 m -47.16 142.65 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.26 127.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -141.15 147.06 37.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.973 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.13 103.03 0.37 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.15 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 p -174.14 133.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.987 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -122.56 145.2 48.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.49 161.3 11.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -94.83 111.68 55.27 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -26.13 11.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 46.22 46.07 13.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.618 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 35.2 mtt -37.78 153.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.522 ' O ' ' CE3' ' A' ' 12' ' ' TRP . 59.1 p-90 -91.51 75.61 5.9 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.435 ' CD1' ' C ' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -78.9 -50.4 11.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -139.6 -166.76 2.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -101.76 94.15 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 40.71 69.98 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 48.31 93.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 -41.31 101.34 0.24 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.67 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.69 -50.81 5.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.41 96.8 5.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -46.86 155.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.44 172.48 12.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -46.31 114.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.506 ' C ' ' O ' ' A' ' 24' ' ' ARG . 9.0 pt20 30.19 89.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.62 169.21 16.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.21 158.14 0.6 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 142.08 27.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.25 141.28 50.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' ILE . 1.2 tp60 -39.07 -58.78 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 34' ' ' ASN . 2.3 mt-10 -41.36 -64.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.4 m -41.95 -30.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' GLN . 25.3 mt -87.11 -43.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' GLU . 88.5 m-20 -61.94 -36.43 81.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -69.65 -27.88 65.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.601 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 11.7 mt -77.52 -59.06 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.4 t -41.96 -40.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.39 -50.07 70.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.601 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 34.3 mtm -55.06 -33.3 62.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.98 57.96 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 16.7 m-85 -145.66 115.29 7.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' THR . 10.2 m-20 -40.12 132.04 1.94 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 42' ' ' ASP . 1.0 OUTLIER -37.25 -57.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.6 t -44.28 -52.11 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 5.2 t -58.42 -41.02 80.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.4 -58.02 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -51.11 -53.42 34.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.481 ' O ' ' CG2' ' A' ' 52' ' ' VAL . . . -62.54 -53.96 47.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -41.73 -50.51 4.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.6 mt -60.85 -53.93 51.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.436 ' HG2' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -51.17 -22.64 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 48' ' ' ALA . 4.9 t -82.21 -73.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 19.7 m-85 -72.19 67.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.531 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 25.58 58.53 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 36.06 55.64 1.15 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 53' ' ' PHE . 40.7 m-20 -114.13 92.04 3.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.6 t -39.75 -47.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.86 -66.25 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.408 ' N ' HD21 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -43.16 -57.27 3.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.542 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -50.96 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.24 -53.85 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -46.42 -37.6 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.1 m -85.05 -62.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 84.2 mt -45.62 -28.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.38 -57.32 3.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.624 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -45.06 -57.77 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.639 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.41 -12.29 3.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.47 35.56 0.99 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -119.63 -3.41 10.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.736 . . . . 0.0 110.008 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.7 mt 61.71 150.28 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 119.71 5.75 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -14.01 21.17 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.55 1.816 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 75' ' ' LEU . 0.8 OUTLIER -132.76 33.47 3.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 74' ' ' ASP . 4.6 tt -37.67 -88.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.1 86.78 2.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 178.15 135.48 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.35 105.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 145.24 -83.38 0.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 91.44 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 t -174.34 123.86 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.67 -57.71 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.486 1.116 . . . . 0.0 110.959 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.441 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 m -110.93 141.85 43.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -38.58 -58.65 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -48.97 -57.44 6.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.465 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 69.5 m -46.75 -36.36 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.455 HG23 ' HB3' ' A' ' 46' ' ' ALA . 36.4 mt -78.94 -43.49 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -61.69 -43.08 99.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -61.46 -27.39 68.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.601 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 9.7 mt -75.02 -53.35 9.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.528 HG21 ' OG1' ' A' ' 43' ' ' THR . 94.8 t -46.99 -38.38 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.77 -51.02 67.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.601 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 36.6 mtm -54.59 -33.84 61.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 122.08 57.53 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.59 1.181 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 64' ' ' LEU . 25.1 m-85 -145.05 116.7 8.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -42.96 130.62 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.528 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -37.62 -56.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.3 t -45.17 -49.1 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 42' ' ' ASP . 20.7 t -62.31 -39.65 84.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.455 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -62.19 -50.55 71.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' CD ' HD13 ' A' ' 33' ' ' ILE . 3.9 mt-10 -64.22 -41.32 97.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.968 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -68.37 -38.12 81.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -61.69 -63.54 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' GLY . 5.0 mt -43.11 -41.14 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -64.42 -41.98 96.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.968 HG23 ' O ' ' A' ' 48' ' ' ALA . 49.0 t -58.06 -57.97 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 60' ' ' ALA . 22.2 m-85 -87.07 40.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 70.64 -57.85 0.94 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 161.62 42.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.413 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -104.37 115.3 30.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 6.8 t -56.86 -40.82 73.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -68.25 -64.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -39.26 -44.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HA ' ' CE1' ' A' ' 53' ' ' PHE . . . -61.61 -59.61 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.583 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -53.94 -54.89 32.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -38.0 -32.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 61' ' ' ALA . 25.9 m -99.29 -51.82 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 12.3 mt -49.99 -38.06 35.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.267 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.81 146.71 24.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.96 -58.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.8 tt0 -44.53 -66.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.461 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 14.8 m -39.05 -39.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.729 HD13 ' CD ' ' A' ' 47' ' ' GLU . 44.2 mt -75.64 -46.54 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLU . 3.0 m120 -59.33 -43.41 92.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -61.63 -28.65 69.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.605 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 11.5 mt -75.93 -55.88 5.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.497 HG21 ' OG1' ' A' ' 43' ' ' THR . 76.5 t -44.78 -36.58 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -57.1 -50.9 71.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.605 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 36.3 mtm -53.8 -33.6 56.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.43 59.04 0.22 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.571 1.169 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 18.8 m-85 -146.63 119.77 8.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' THR . 71.4 m-20 -43.45 131.89 4.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.497 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -38.12 -55.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.1 t -45.79 -50.54 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 4.3 t -59.66 -41.43 85.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.62 -54.88 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.729 ' CD ' HD13 ' A' ' 33' ' ' ILE . 2.5 mt-10 -57.29 -50.76 71.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.024 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -62.49 -49.08 76.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -48.87 -63.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.2 mt -43.01 -64.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -39.88 -45.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.024 HG23 ' O ' ' A' ' 48' ' ' ALA . 19.7 t -57.93 -71.25 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.587 ' HZ ' HG21 ' A' ' 63' ' ' THR . 30.1 m-85 -72.43 67.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.11 49.18 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 46.32 59.16 5.38 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 53' ' ' PHE . 16.9 m-20 -119.59 111.82 18.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.47 ' CG2' HD21 ' A' ' 50' ' ' LEU . 37.1 t -56.93 -53.19 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -54.96 -60.36 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -45.45 -60.17 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.0 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -44.61 -55.83 4.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.0 -31.19 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.587 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 1.2 m -91.72 -50.97 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 60.9 mt -55.23 -53.06 60.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.598 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.07 165.08 26.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -57.46 9.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.2 tt0 -49.73 -68.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' GLU . 36.0 p -36.71 -51.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.5 mt -64.4 -47.2 90.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' GLU . 23.2 m-20 -58.08 -46.79 84.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -58.65 -31.0 67.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.472 HD23 ' HE1' ' A' ' 39' ' ' MET . 12.6 mt -69.97 -58.42 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' GLY . 77.0 t -42.32 -45.94 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.91 -60.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.472 ' HE1' HD23 ' A' ' 36' ' ' LEU . 72.7 mtm -47.42 -34.67 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 37' ' ' VAL . . . 121.83 56.62 0.21 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.944 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 41.8 m-85 -140.02 114.32 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' THR . 5.6 m-20 -39.62 131.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -37.18 -59.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.419 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.1 t -40.66 -53.1 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.58 -43.52 83.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -60.49 -50.84 71.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.74 -40.18 96.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.996 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -69.14 -37.36 78.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -61.98 -63.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.598 HD13 ' CB ' ' A' ' 28' ' ' PRO . 3.9 mt -43.28 -41.35 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.0 mtt85 -64.12 -41.88 97.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 48' ' ' ALA . 46.9 t -58.42 -58.75 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 60' ' ' ALA . 22.0 m-85 -86.4 42.71 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 70.08 -58.47 0.8 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 163.21 41.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.93 132.88 48.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.9 t -73.85 -44.94 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -63.68 -54.93 27.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.53 -49.67 55.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.56 ' HA ' ' CE1' ' A' ' 53' ' ' PHE . . . -60.26 -60.19 4.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.11 -53.68 19.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.68 -46.09 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.6 m -80.38 -55.7 4.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.399 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 36.6 mt -44.55 -42.06 6.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.01 146.17 27.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -38.91 -59.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' ASN . 49.1 mt-10 -45.86 -65.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.418 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 48.7 m -39.53 -34.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.963 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.522 HG23 ' HB3' ' A' ' 46' ' ' ALA . 27.7 mt -81.29 -46.08 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' GLU . 70.4 m-20 -59.9 -39.79 86.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -65.52 -27.54 68.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.604 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 11.7 mt -76.26 -53.55 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.456 HG21 ' OG1' ' A' ' 43' ' ' THR . 76.8 t -43.52 -38.81 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.85 -60.54 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.604 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 40.5 mtm -44.63 -34.44 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.563 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.22 61.2 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 26.1 m-85 -148.0 115.28 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.793 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' THR . 11.7 m-20 -40.95 132.01 2.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.456 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -37.54 -55.16 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 110.452 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -46.59 -51.63 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.503 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 5.2 t -58.17 -40.75 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.522 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -62.44 -57.76 10.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.4 ' CD ' HD13 ' A' ' 33' ' ' ILE . 7.2 mt-10 -54.4 -52.98 60.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.03 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -60.27 -48.65 80.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 45' ' ' VAL . . . -49.4 -65.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.0 mt -41.2 -66.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -38.16 -46.68 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.03 HG23 ' O ' ' A' ' 48' ' ' ALA . 21.5 t -57.6 -73.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.68 ' HZ ' HG21 ' A' ' 63' ' ' THR . 29.8 m-85 -69.73 64.72 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 29.56 51.2 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 39.52 69.64 0.41 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -131.25 101.93 5.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 41.6 t -43.85 -42.92 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' LEU . 1.3 tt0 -63.45 -71.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' GLN . 0.4 OUTLIER -40.11 -54.57 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.551 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -53.36 -61.32 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.65 -57.93 6.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -39.17 -34.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.68 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 2.5 m -91.13 -54.98 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.387 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.571 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 23.5 mt -48.44 -34.31 10.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.474 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -125.24 151.13 46.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' A' ' 34' ' ' ASN . 1.1 tp60 -39.36 -41.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.491 ' CB ' ' OE1' ' A' ' 35' ' ' GLN . 4.5 mt-10 -55.86 -78.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 31' ' ' GLU . 6.0 m -36.51 -50.28 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.043 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.9 mt -58.43 -51.02 76.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLU . 93.1 m-20 -60.98 -47.12 87.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.491 ' OE1' ' CB ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -57.84 -28.5 64.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.627 HD23 ' CE ' ' A' ' 39' ' ' MET . 10.2 mt -73.21 -54.14 9.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.465 HG21 ' OG1' ' A' ' 43' ' ' THR . 69.5 t -46.28 -42.1 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.08 -50.62 35.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.627 ' CE ' HD23 ' A' ' 36' ' ' LEU . 56.5 mtm -57.34 -32.86 67.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.509 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 122.36 54.91 0.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 12.4 m-85 -140.92 112.5 7.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' THR . 1.0 OUTLIER -40.09 131.15 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.465 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -36.42 -56.57 0.79 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.422 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.4 t -45.18 -51.95 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 7.2 t -58.68 -39.93 77.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.31 -52.5 61.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.57 -51.0 71.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.03 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -62.36 -49.09 76.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -49.41 -67.29 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.474 HD13 ' CB ' ' A' ' 28' ' ' PRO . 2.5 mt -40.25 -67.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -36.95 -46.31 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.03 HG23 ' O ' ' A' ' 48' ' ' ALA . 22.9 t -58.95 -75.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.612 ' HZ ' HG21 ' A' ' 63' ' ' THR . 24.4 m-85 -68.16 64.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.05 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 29.21 48.22 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 43.79 68.67 0.8 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -130.8 100.02 5.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.429 ' CG2' ' OG ' ' A' ' 32' ' ' SER . 79.2 t -41.83 -44.19 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -62.27 -71.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' GLN . 0.6 OUTLIER -40.2 -48.52 2.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.509 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -58.36 -59.76 4.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 63' ' ' THR . . . -52.67 -56.85 12.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.3 -27.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.612 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 49.0 m -96.07 -48.16 5.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 18.9 mt -58.68 -51.87 68.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.575 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.895 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m -124.1 152.98 42.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -46.35 -38.56 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' ASN . 7.3 tp10 -63.81 -69.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.458 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 26.5 m -40.54 -33.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.863 HD13 ' CD ' ' A' ' 47' ' ' GLU . 58.5 mt -80.74 -45.97 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' GLU . 89.4 m-20 -61.44 -40.67 95.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -64.27 -26.5 68.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.673 HD23 ' CE ' ' A' ' 39' ' ' MET . 10.0 mt -75.99 -58.36 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.514 HG21 ' OG1' ' A' ' 43' ' ' THR . 78.9 t -43.74 -45.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.8 -50.3 10.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.673 ' CE ' HD23 ' A' ' 36' ' ' LEU . 59.5 mtm -57.49 -40.4 78.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.549 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 131.21 56.68 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.57 ' CG ' HD13 ' A' ' 64' ' ' LEU . 12.5 m-85 -143.04 114.91 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' VAL . 2.1 m-20 -40.84 131.36 2.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.514 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -37.71 -54.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.0 t -46.81 -50.62 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 6.2 t -59.25 -41.99 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -62.39 -56.85 14.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.863 ' CD ' HD13 ' A' ' 33' ' ' ILE . 6.3 mt-10 -59.14 -50.81 72.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.342 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.478 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -59.34 -50.02 75.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -48.44 -55.23 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.575 HD13 ' CB ' ' A' ' 28' ' ' PRO . 4.4 mt -51.92 -24.28 6.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -83.01 -26.26 31.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 48' ' ' ALA . 20.1 t -78.92 -47.27 23.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.57 ' HZ ' HG21 ' A' ' 63' ' ' THR . 44.3 m-85 -95.73 41.69 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 68.63 -58.92 0.48 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 163.71 41.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -105.76 118.5 36.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 13.9 t -61.24 -42.75 94.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -62.33 -63.14 1.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -40.61 -50.96 3.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.551 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -54.81 -59.56 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 63' ' ' THR . . . -53.71 -58.26 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.03 -31.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.57 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 3.1 m -88.65 -54.33 4.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.396 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.57 HD13 ' CG ' ' A' ' 41' ' ' PHE . 34.2 mt -54.23 -53.44 53.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.631 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.34 147.11 42.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.87 -33.93 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' ASN . 23.2 mt-10 -65.31 -71.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.412 ' OG ' ' CG2' ' A' ' 57' ' ' VAL . 2.4 m -40.72 -35.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.406 HG13 ' CD1' ' A' ' 50' ' ' LEU . 44.0 mt -75.54 -46.45 37.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' GLU . 57.3 m-20 -63.49 -42.9 98.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -61.76 -28.66 69.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.7 HD23 ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -74.47 -54.28 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.532 HG21 ' OG1' ' A' ' 43' ' ' THR . 79.1 t -46.32 -37.57 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -57.63 -54.9 41.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.7 ' CE ' HD23 ' A' ' 36' ' ' LEU . 32.9 mtm -50.31 -36.89 33.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 125.82 57.92 0.16 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.608 ' CG ' HD13 ' A' ' 64' ' ' LEU . 26.7 m-85 -146.98 113.22 5.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 0.765 . . . . 0.0 111.043 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' PHE . 5.3 m-20 -40.61 134.43 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.532 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -40.16 -59.06 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.421 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.5 t -41.46 -51.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 4.6 t -60.31 -41.7 88.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -62.45 -55.09 30.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.496 ' OE2' ' CG2' ' A' ' 43' ' ' THR . 4.1 mt-10 -59.57 -50.69 72.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -60.3 -48.99 79.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -50.17 -55.37 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.631 HD13 ' CB ' ' A' ' 28' ' ' PRO . 6.1 mt -52.8 -21.58 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.68 -24.61 25.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 48' ' ' ALA . 16.3 t -80.13 -42.99 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 32.2 m-85 -102.37 44.07 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 68.16 -60.44 0.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 165.93 41.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.424 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -105.52 124.98 50.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.49 HG13 ' CD2' ' A' ' 36' ' ' LEU . 81.0 t -67.15 -43.31 88.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -58.28 6.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -45.0 -39.23 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -70.27 -62.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.604 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -48.02 -46.77 33.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.69 -39.82 25.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.479 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 1.8 m -78.96 -47.92 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.608 HD13 ' CG ' ' A' ' 41' ' ' PHE . 41.3 mt -57.91 -60.87 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.525 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.58 145.51 27.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.94 -43.78 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.502 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 16.5 tt0 -60.13 -46.03 91.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.3 m -60.08 -35.89 76.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 46' ' ' ALA . 27.9 mt -78.34 -44.62 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -64.38 -38.68 91.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 31' ' ' GLU . 5.7 mm-40 -66.56 -26.43 67.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.667 HD23 ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -76.14 -56.8 4.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 41' ' ' PHE . 73.2 t -47.0 -37.04 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.39 -47.9 56.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.667 ' CE ' HD23 ' A' ' 36' ' ' LEU . 67.2 mtm -61.79 -35.19 77.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 127.79 53.8 0.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 13.2 m-85 -138.33 111.04 7.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' VAL . 9.3 m-20 -39.09 131.54 1.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.476 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.1 m -36.45 -54.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.2 t -48.76 -49.93 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 10.8 t -59.16 -40.79 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.497 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -63.07 -57.53 10.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.431 ' CD ' HD13 ' A' ' 33' ' ' ILE . 3.8 mt-10 -54.65 -51.63 64.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.02 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -61.69 -51.02 70.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -47.05 -62.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.525 HD13 ' CB ' ' A' ' 28' ' ' PRO . 3.0 mt -44.4 -66.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' LEU . 35.9 mtt180 -38.26 -44.0 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.02 HG23 ' O ' ' A' ' 48' ' ' ALA . 16.7 t -59.63 -74.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 26.0 m-85 -69.45 65.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.72 44.16 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 53.76 59.37 9.89 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' PHE . 2.0 m120 -119.28 97.53 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.417 ' CG2' HD21 ' A' ' 50' ' ' LEU . 37.6 t -40.53 -44.43 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -63.41 -73.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.489 HD22 ' CD ' ' A' ' 62' ' ' GLN . 0.5 OUTLIER -41.06 -28.94 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.557 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -75.63 -51.03 13.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 58' ' ' GLN . . . -69.82 -51.89 29.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.511 ' CG ' ' N ' ' A' ' 63' ' ' THR . 6.3 pt20 -37.58 -47.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.345 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.511 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 1.1 m -77.54 -53.91 7.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 77.4 mt -48.59 -58.02 5.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.425 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.63 172.61 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.81 -46.69 87.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' ASN . 0.8 OUTLIER -52.86 -76.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.452 ' CB ' ' CG2' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -36.2 -59.38 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.428 HD13 ' CD ' ' A' ' 47' ' ' GLU . 14.5 mt -52.29 -47.47 45.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' GLU . 12.1 m-20 -61.87 -52.6 63.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -52.35 -28.63 20.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.524 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.1 mt -72.57 -57.52 4.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.4 t -41.62 -44.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.97 -55.54 5.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.524 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 49.1 mtm -51.83 -33.31 35.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.13 54.88 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 64' ' ' LEU . 44.0 m-85 -140.32 112.81 7.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.773 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' PHE . 3.9 m-20 -39.6 132.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -38.1 -58.66 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.4 t -42.4 -51.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 10.8 t -59.5 -39.84 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -64.7 -49.48 70.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.428 ' CD ' HD13 ' A' ' 33' ' ' ILE . 4.0 mt-10 -62.05 -48.99 77.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.015 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -64.79 -47.17 79.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -51.03 -64.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.8 mt -42.34 -63.48 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -40.05 -44.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.312 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.015 HG23 ' O ' ' A' ' 48' ' ' ALA . 22.6 t -59.26 -73.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.174 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.543 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 25.2 m-85 -69.77 67.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 27.51 52.25 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 42.18 57.24 3.7 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' PHE . 1.7 m-80 -117.22 105.49 12.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.452 ' CG2' ' CB ' ' A' ' 32' ' ' SER . 23.5 t -49.61 -52.09 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -56.27 -68.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.5 OUTLIER -39.47 -60.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.543 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -47.57 -64.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -47.03 -58.11 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -38.33 -32.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' ALA . 5.5 m -95.46 -51.84 4.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 13.1 mt -50.57 -36.01 32.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.495 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.828 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.49 151.89 30.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.1 -40.06 22.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' ASN . 2.7 tp10 -61.24 -68.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.431 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 63.8 m -40.94 -34.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 37' ' ' VAL . 41.3 mt -77.31 -45.97 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' GLU . 43.7 m-20 -63.4 -42.03 98.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -62.57 -30.24 71.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.705 HD23 ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -72.46 -57.96 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.5 HG21 ' OG1' ' A' ' 43' ' ' THR . 85.9 t -43.88 -42.74 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.62 -49.31 27.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.705 ' CE ' HD23 ' A' ' 36' ' ' LEU . 55.2 mtm -57.91 -35.66 71.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.524 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 125.53 55.54 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 12.4 m-85 -141.59 114.57 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 0.786 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 43' ' ' THR . 5.8 m-20 -40.4 130.28 2.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.5 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.1 m -36.75 -56.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.3 t -45.27 -51.95 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.525 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 4.8 t -57.92 -41.19 79.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.86 -58.88 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -50.71 -54.19 25.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.767 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -61.58 -55.72 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -39.98 -47.62 2.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.495 HD13 ' CB ' ' A' ' 28' ' ' PRO . 3.5 mt -60.77 -51.47 69.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -52.75 -24.98 9.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 48' ' ' ALA . 3.8 t -80.75 -73.89 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.693 ' HZ ' HG21 ' A' ' 63' ' ' THR . 17.6 m-85 -73.2 67.99 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.569 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 21.45 60.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 37.71 60.62 1.2 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 53' ' ' PHE . 1.6 m-80 -118.82 92.71 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 39.5 t -39.86 -49.29 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.81 -67.79 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.43 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -43.43 -43.97 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.556 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -59.49 -58.45 8.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -53.43 -59.07 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -38.27 -30.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.693 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 3.2 m -93.97 -57.41 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.399 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 73.3 mt -48.04 -42.03 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.78 153.66 22.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.75 -37.57 6.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -62.94 -70.81 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.464 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 12.7 m -39.69 -40.7 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.2 mt -71.24 -46.55 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLU . 13.9 m-20 -62.27 -44.72 95.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -60.57 -28.86 68.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.256 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' CD2' ' HE1' ' A' ' 39' ' ' MET . 12.2 mt -74.38 -57.06 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' LEU . 53.7 t -40.07 -45.02 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.33 -64.93 0.63 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.664 ' HE1' ' HB2' ' A' ' 61' ' ' ALA . 2.1 mtp -42.28 -34.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.602 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.39 71.7 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 55.6 m-85 -158.57 113.72 2.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' THR . 9.3 m-20 -39.94 131.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -36.32 -60.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -41.45 -54.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 5.9 t -56.95 -40.13 70.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -63.62 -51.78 63.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.73 -50.62 72.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.023 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -62.3 -47.69 83.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.138 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -50.01 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.1 mt -41.88 -64.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.234 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -38.75 -44.31 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.023 HG23 ' O ' ' A' ' 48' ' ' ALA . 21.8 t -60.89 -75.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 22.1 m-85 -68.12 67.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 27.99 54.97 0.12 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 38.19 59.96 1.41 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.429 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.5 m-80 -121.28 110.13 15.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 61.4 t -52.64 -57.18 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -51.33 -67.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.248 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.429 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -39.73 -71.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.575 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -41.33 -60.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.664 ' HB2' ' HE1' ' A' ' 39' ' ' MET . . . -48.09 -45.87 33.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 63' ' ' THR . 0.4 OUTLIER -47.84 -48.38 30.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 2.2 m -80.15 -44.14 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.444 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 12.0 mt -56.28 -29.93 61.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 61' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.598 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.921 0 N-CA-C 111.049 -0.404 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 p -98.05 139.86 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' ILE . 1.1 tp60 -38.45 -65.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 18.1 mt-10 -40.62 -44.78 2.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.25 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 m -60.2 -45.44 93.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.938 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.598 HD11 ' HG2' ' A' ' 28' ' ' PRO . 20.3 mt -70.33 -46.67 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -60.91 -41.7 96.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 31' ' ' GLU . 5.8 mm-40 -63.68 -26.77 68.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 11.3 mt -74.89 -58.27 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.437 HG21 ' OG1' ' A' ' 43' ' ' THR . 77.8 t -41.18 -43.36 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.59 -59.2 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.526 ' CE ' ' HB2' ' A' ' 61' ' ' ALA . 69.6 mtm -49.4 -32.7 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.95 58.16 0.25 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 33.0 m-85 -141.24 115.47 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 43' ' ' THR . 86.4 m-20 -40.28 130.0 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 1.1 m -36.7 -55.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.475 HG23 ' H ' ' A' ' 45' ' ' VAL . 2.9 m -44.88 -55.73 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.475 ' H ' HG23 ' A' ' 44' ' ' VAL . 6.3 t -55.72 -39.71 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -62.25 -51.18 68.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.418 ' CD ' HD13 ' A' ' 33' ' ' ILE . 4.0 mt-10 -65.17 -43.53 91.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.003 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -65.73 -40.15 91.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -59.48 -66.35 0.53 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' GLY . 2.5 mt -41.67 -43.97 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -60.84 -44.23 97.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.003 HG23 ' O ' ' A' ' 48' ' ' ALA . 42.3 t -57.09 -57.5 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 20.4 m-85 -87.61 40.56 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 69.68 -58.51 0.71 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.66 42.11 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.412 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -101.55 112.25 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 t -54.94 -40.7 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -68.01 -65.5 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.5 OUTLIER -39.67 -46.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.563 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -59.94 -61.57 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.526 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -51.11 -54.95 20.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.92 -34.63 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.469 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 13.3 m -90.11 -56.3 3.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 82.2 mt -47.21 -48.13 24.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.643 ' HB2' HD13 ' A' ' 50' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' GLN . 4.6 m -89.54 140.34 29.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.045 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 29' ' ' SER . 2.3 tp60 -38.56 -52.35 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' ASN . 9.0 mt-10 -50.16 -65.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 m -40.62 -29.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.819 HD13 ' CD ' ' A' ' 47' ' ' GLU . 32.0 mt -87.52 -45.08 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' GLU . 72.7 m-20 -61.61 -36.76 81.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -68.75 -26.18 65.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.23 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.557 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.4 mt -75.78 -52.64 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.538 HG21 ' OG1' ' A' ' 43' ' ' THR . 73.6 t -47.56 -39.48 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -52.16 -46.77 65.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.594 ' CE ' ' HB2' ' A' ' 61' ' ' ALA . 44.8 mtm -60.42 -32.61 71.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.23 54.08 0.23 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 36.3 m-85 -140.21 116.77 10.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.747 ' OD1' HG23 ' A' ' 44' ' ' VAL . 2.1 t0 -40.4 132.54 2.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.538 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.1 m -40.94 -40.64 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.747 HG23 ' OD1' ' A' ' 42' ' ' ASP . 2.8 t -62.08 -47.02 95.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.522 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 13.1 t -59.73 -35.46 60.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.592 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -69.32 -61.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.819 ' CD ' HD13 ' A' ' 33' ' ' ILE . 3.3 mt-10 -50.9 -51.32 53.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -59.51 -50.63 73.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 45' ' ' VAL . . . -48.04 -52.91 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.643 HD13 ' HB2' ' A' ' 28' ' ' PRO . 5.7 mt -56.42 -24.31 44.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -81.91 -24.52 35.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 48' ' ' ALA . 15.5 t -78.53 -55.53 9.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 18.7 m-85 -90.4 44.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 67.97 -59.11 0.37 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 164.25 42.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -103.86 120.13 40.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.7 t -62.79 -41.38 92.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -61.61 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.408 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -42.35 -38.82 1.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -69.64 -62.65 1.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -48.73 -41.48 32.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -38.28 66.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.448 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 18.0 m -86.3 -49.12 7.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.469 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 33.9 mt -58.87 -18.14 30.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 61' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.0 m -101.37 145.79 28.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -44.33 -45.45 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 5.3 mm-40 -59.51 -45.71 90.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.351 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.474 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 59.8 m -59.76 -37.18 78.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 46' ' ' ALA . 28.1 mt -77.41 -46.74 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -61.63 -39.85 92.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 31' ' ' GLU . 5.2 mm-40 -64.92 -28.17 69.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.258 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.606 HD23 ' CE ' ' A' ' 39' ' ' MET . 10.9 mt -74.81 -60.18 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.6 t -40.83 -38.73 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -55.22 -45.62 75.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.606 ' CE ' HD23 ' A' ' 36' ' ' LEU . 31.5 mtm -60.65 -36.09 77.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.514 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 127.54 53.66 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 15.2 m-85 -143.66 110.82 5.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 0.772 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 43' ' ' THR . 36.1 t0 -38.69 137.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.3 m -38.41 -63.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.392 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 45' ' ' VAL . 8.3 p -40.62 -54.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.56 ' N ' HG13 ' A' ' 44' ' ' VAL . 10.4 t -55.25 -41.63 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -63.46 -52.38 61.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' OE2' ' CG2' ' A' ' 43' ' ' THR . 4.6 mt-10 -60.33 -51.01 71.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.02 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -61.69 -47.28 86.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -51.44 -66.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.524 HD21 ' CG2' ' A' ' 57' ' ' VAL . 2.7 mt -40.09 -65.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -38.99 -46.87 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.02 HG23 ' O ' ' A' ' 48' ' ' ALA . 25.0 t -57.76 -72.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 27.4 m-85 -70.26 67.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.513 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.15 52.46 0.11 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 40.42 60.41 2.03 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.432 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.4 m-80 -120.91 104.89 10.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.524 ' CG2' HD21 ' A' ' 50' ' ' LEU . 21.3 t -48.53 -49.49 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' LEU . 1.5 tt0 -58.84 -68.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -39.93 -59.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -47.75 -62.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.498 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -48.75 -56.9 7.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -38.53 -33.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.295 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.466 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 1.8 m -95.99 -53.78 3.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 18.5 mt -48.51 -34.21 10.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.814 0 N-CA-C 110.96 -0.438 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 p -106.03 145.93 30.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.989 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -39.85 -42.82 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.3 tp10 -61.27 -67.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -39.97 -36.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.705 HD13 ' OE2' ' A' ' 47' ' ' GLU . 37.4 mt -76.08 -46.78 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLU . 8.2 m-20 -61.6 -42.89 99.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -61.36 -28.21 69.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.555 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.1 mt -73.51 -56.97 4.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.514 HG21 ' OG1' ' A' ' 43' ' ' THR . 82.2 t -43.85 -41.59 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.68 -46.78 50.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.571 ' CE ' ' HB2' ' A' ' 61' ' ' ALA . 41.1 mtm -60.06 -32.28 70.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.7 53.3 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 41.3 m-85 -139.67 118.48 12.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.776 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' THR . 54.3 m-20 -43.08 130.11 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.514 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -37.87 -54.51 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.521 HG23 ' H ' ' A' ' 45' ' ' VAL . 3.4 m -45.44 -57.15 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.521 ' H ' HG23 ' A' ' 44' ' ' VAL . 10.7 t -55.32 -38.52 48.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -62.3 -49.81 74.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.705 ' OE2' HD13 ' A' ' 33' ' ' ILE . 3.6 mt-10 -67.31 -44.33 79.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.002 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -64.73 -40.1 94.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.616 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -61.85 -66.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' GLY . 5.2 mt -41.14 -42.51 2.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -44.81 95.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.002 HG23 ' O ' ' A' ' 48' ' ' ALA . 49.0 t -56.38 -59.39 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 60' ' ' ALA . 17.8 m-85 -85.6 43.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 68.93 -59.03 0.53 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.459 1.099 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 163.8 41.73 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.1 m-80 -99.51 129.7 45.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.794 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.2 t -73.11 -45.34 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -62.92 -54.73 34.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -46.86 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.616 ' HB1' ' HB1' ' A' ' 49' ' ' ALA . . . -43.26 -61.88 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.571 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -46.89 -45.34 20.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.467 ' CG ' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -51.28 -48.43 62.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 1.5 m -75.26 -45.7 38.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 85.9 mt -56.96 -63.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.92 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.63 149.61 21.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -43.94 -51.23 7.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' ASN . 4.1 tt0 -52.83 -66.44 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.464 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 43.7 m -39.88 -38.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.403 HD13 ' CD ' ' A' ' 47' ' ' GLU . 35.6 mt -76.25 -45.35 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLU . 54.4 m-20 -61.34 -42.46 98.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.229 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -61.28 -30.63 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.527 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 8.8 mt -71.5 -59.42 2.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.479 HG21 ' OG1' ' A' ' 43' ' ' THR . 93.9 t -40.63 -45.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -43.73 -53.6 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.527 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 51.2 mtm -53.61 -34.36 58.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.22 56.87 0.21 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 32.8 m-85 -142.22 116.19 9.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -40.77 130.2 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.479 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -38.11 -54.87 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.9 t -45.56 -51.33 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 3.9 t -58.67 -41.5 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.4 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -62.03 -56.55 17.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.403 ' CD ' HD13 ' A' ' 33' ' ' ILE . 4.0 mt-10 -55.0 -53.96 49.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.013 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -59.87 -47.49 85.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -51.28 -66.96 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.0 mt -39.19 -63.58 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -41.16 -47.04 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.013 HG23 ' O ' ' A' ' 48' ' ' ALA . 23.2 t -56.56 -66.78 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 33.8 m-85 -76.74 69.16 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.48 53.87 0.13 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 40.32 57.39 2.65 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.452 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.8 m-80 -116.91 129.24 55.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 27.0 t -70.17 -62.0 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.52 -59.47 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.42 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -45.67 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.563 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -39.46 -62.06 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.431 ' CB ' ' CE ' ' A' ' 39' ' ' MET . . . -46.29 -46.16 17.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -49.64 -48.2 49.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 20.7 m -74.78 -43.28 55.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 28.2 mt -56.58 -51.21 69.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.867 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 t -86.87 137.77 32.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.067 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -39.45 -43.63 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.9 tt0 -59.83 -66.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.0 m -41.96 -32.17 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.867 HD11 ' HG2' ' A' ' 28' ' ' PRO . 53.3 mt -80.81 -44.51 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLU . 89.3 m-20 -64.49 -40.79 96.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -63.86 -27.16 68.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.68 HD23 ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -74.76 -54.58 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.575 HG21 ' OG1' ' A' ' 43' ' ' THR . 84.4 t -47.99 -37.11 6.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -55.35 -41.22 72.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.68 ' CE ' HD23 ' A' ' 36' ' ' LEU . 41.6 mtm -65.86 -31.14 71.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.02 53.74 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.717 ' CG ' HD13 ' A' ' 64' ' ' LEU . 12.4 m-85 -141.38 118.54 11.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 0.78 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -43.46 130.56 5.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.575 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -38.0 -53.62 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.421 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.9 t -48.65 -49.51 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 16.6 t -59.48 -39.82 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.3 -58.62 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.581 ' CD ' HD13 ' A' ' 33' ' ' ILE . 3.9 mt-10 -51.98 -51.19 58.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.017 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -63.58 -51.47 65.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -46.68 -60.19 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.547 HD13 ' HB2' ' A' ' 28' ' ' PRO . 2.8 mt -46.37 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' LEU . 41.0 mtt180 -38.33 -41.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.017 HG23 ' O ' ' A' ' 48' ' ' ALA . 12.1 t -62.12 -74.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.619 ' HZ ' HG21 ' A' ' 63' ' ' THR . 21.3 m-85 -70.06 65.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 27.99 44.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 49.94 65.62 2.78 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -124.43 95.62 4.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.3 t -40.17 -40.2 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -70.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.74 -48.28 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.554 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -58.35 -57.43 12.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.46 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -54.76 -58.39 7.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.55 -42.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.619 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -71.52 -62.37 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.374 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.717 HD13 ' CG ' ' A' ' 41' ' ' PHE . 40.2 mt -49.49 -56.85 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.95 151.5 24.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -40.23 -53.7 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' ASN . 17.0 tt0 -52.02 -66.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.15 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.5 m -39.42 -34.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.589 HG23 ' HB3' ' A' ' 46' ' ' ALA . 22.2 mt -81.32 -46.71 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' GLU . 61.1 m-20 -59.68 -39.86 85.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -65.5 -21.22 66.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.3 mt -82.23 -60.56 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.469 HG21 ' OG1' ' A' ' 43' ' ' THR . 69.9 t -40.31 -33.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -59.63 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.489 ' SD ' ' HB1' ' A' ' 61' ' ' ALA . 69.1 mtm -51.74 -28.68 15.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 116.62 55.92 0.32 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.13 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.774 ' CD2' HD13 ' A' ' 64' ' ' LEU . 15.4 m-85 -135.15 115.75 13.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 43' ' ' THR . 5.1 m-20 -39.95 129.79 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.469 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.1 m -37.15 -57.1 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.7 t -44.6 -52.36 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 8.6 t -57.47 -40.18 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.589 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -63.38 -53.7 48.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.07 -51.24 70.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.013 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -62.37 -49.0 77.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -48.12 -61.62 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.6 mt -44.62 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' LEU . 5.0 mtp180 -36.92 -43.85 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.013 HG23 ' O ' ' A' ' 48' ' ' ALA . 16.1 t -60.73 -75.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.806 ' HZ ' HG21 ' A' ' 63' ' ' THR . 24.3 m-85 -69.83 67.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.494 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.34 46.2 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 44.09 66.32 1.37 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' VAL . 1.9 m-20 -124.17 96.04 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 0.804 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' ASN . 43.8 t -40.01 -42.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -63.79 -72.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' GLN . 0.7 OUTLIER -39.02 -60.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.479 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -50.05 -64.65 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.489 ' HB1' ' SD ' ' A' ' 39' ' ' MET . . . -45.62 -57.06 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -50.47 13.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.806 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 1.4 m -58.0 -65.93 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.774 HD13 ' CD2' ' A' ' 41' ' ' PHE . 26.7 mt -40.87 -62.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.6 m -102.85 144.59 30.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -40.42 -61.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASN . 13.7 mt-10 -39.67 -67.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.5 m -39.29 -39.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.81 HD13 ' CD ' ' A' ' 47' ' ' GLU . 56.2 mt -76.18 -46.24 34.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLU . 53.8 m-20 -59.65 -42.47 92.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -62.44 -36.48 82.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.706 HD23 ' CE ' ' A' ' 39' ' ' MET . 10.4 mt -69.37 -56.33 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.536 HG21 ' OG1' ' A' ' 43' ' ' THR . 70.1 t -45.4 -45.9 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -46.15 -53.75 9.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.706 ' CE ' HD23 ' A' ' 36' ' ' LEU . 57.5 mtm -52.19 -34.75 46.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.577 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 122.62 59.57 0.2 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 14.7 m-85 -143.51 120.37 11.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.783 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' THR . 10.0 m-20 -42.5 127.01 3.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.536 ' OG1' HG21 ' A' ' 37' ' ' VAL . 0.9 OUTLIER -36.41 -56.46 0.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.172 . . . . 0.0 110.397 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -44.69 -51.7 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.852 ' CG1' HD21 ' A' ' 64' ' ' LEU . 4.9 t -59.1 -41.34 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.04 -52.29 64.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.81 ' CD ' HD13 ' A' ' 33' ' ' ILE . 3.8 mt-10 -62.14 -47.73 83.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.806 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -63.0 -43.16 99.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -56.67 -61.08 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.451 ' CD1' HG13 ' A' ' 33' ' ' ILE . 6.6 mt -45.39 -37.62 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.0 mtt-85 -73.04 -34.39 66.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 48' ' ' ALA . 76.9 t -58.94 -59.56 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 59' ' ' LEU . 61.2 m-85 -77.35 -65.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.562 ' O ' ' ND2' ' A' ' 56' ' ' ASN . . . 146.65 65.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.02 19.55 11.58 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.61 ' OD1' HD22 ' A' ' 59' ' ' LEU . 1.5 m-80 -88.54 81.9 7.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' ASN . 23.7 t -38.97 -60.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -45.65 -66.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.61 HD22 ' OD1' ' A' ' 56' ' ' ASN . 7.0 mp -37.4 -57.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.571 ' HA ' ' CE1' ' A' ' 53' ' ' PHE . . . -55.77 -62.45 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 65' ' ' ALA . . . -44.2 -53.42 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -39.5 10.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.6 m -83.92 -61.29 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.421 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.852 HD21 ' CG1' ' A' ' 45' ' ' VAL . 24.6 mt -47.2 -26.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 61' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.842 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.25 141.28 50.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -39.07 -58.78 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 34' ' ' ASN . 2.3 mt-10 -41.36 -64.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.4 m -41.95 -30.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.556 HG23 ' HB3' ' A' ' 46' ' ' ALA . 25.3 mt -87.11 -43.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' GLU . 88.5 m-20 -61.94 -36.43 81.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -69.65 -27.88 65.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.602 HD23 ' CE ' ' A' ' 39' ' ' MET . 11.7 mt -77.52 -59.06 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.503 HG21 ' OG1' ' A' ' 43' ' ' THR . 66.4 t -41.96 -40.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.39 -50.07 70.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.602 ' CE ' HD23 ' A' ' 36' ' ' LEU . 34.3 mtm -55.06 -33.3 62.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.98 57.96 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 16.7 m-85 -145.66 115.29 7.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' THR . 10.2 m-20 -40.12 132.04 1.94 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.503 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -37.25 -57.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.6 t -44.28 -52.11 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.51 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 5.2 t -58.42 -41.02 80.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.556 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -63.4 -58.02 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -51.11 -53.42 34.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.0 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -62.54 -53.96 47.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 45' ' ' VAL . . . -41.73 -50.51 4.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.6 mt -60.85 -53.93 51.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.17 -22.64 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.0 HG23 ' O ' ' A' ' 48' ' ' ALA . 4.9 t -82.21 -73.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.531 ' O ' ' C ' ' A' ' 54' ' ' GLY . 19.7 m-85 -72.19 67.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.531 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 25.58 58.53 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 36.06 55.64 1.15 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 53' ' ' PHE . 40.7 m-20 -114.13 92.04 3.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.6 t -39.75 -47.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.86 -66.25 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.16 -57.27 3.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.526 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -50.96 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.441 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -44.24 -53.85 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -46.42 -37.6 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.526 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 19.1 m -85.05 -62.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 84.2 mt -45.62 -28.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -149.18 143.94 26.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 110.045 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -40.52 138.12 1.0 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.64 106.86 0.54 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.54 88.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 110.009 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.61 117.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.72 -75.63 0.04 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -82.89 144.0 47.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.527 0.78 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.83 19.58 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.538 1.81 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -51.36 -36.46 43.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.575 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.9 mtp 51.09 177.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.561 ' CZ2' ' HG3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER 44.5 74.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 108.029 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -68.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 108.002 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mt -136.21 -147.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 57.79 160.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.293 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 53.45 99.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.44 -64.02 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -126.04 100.13 30.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.561 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 18.1 Cg_endo -75.02 -52.21 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.81 88.27 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -123.01 96.96 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -127.72 156.93 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -79.58 76.25 6.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -148.77 135.24 19.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -46.73 119.42 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -173.47 167.99 4.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.83 161.28 0.3 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.441 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.99 173.51 14.39 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.543 1.812 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 m -110.93 141.85 43.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -38.58 -58.65 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -48.97 -57.44 6.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.465 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 69.5 m -46.75 -36.36 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.455 HG23 ' HB3' ' A' ' 46' ' ' ALA . 36.4 mt -78.94 -43.49 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -61.69 -43.08 99.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -61.46 -27.39 68.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.601 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 9.7 mt -75.02 -53.35 9.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.528 HG21 ' OG1' ' A' ' 43' ' ' THR . 94.8 t -46.99 -38.38 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.77 -51.02 67.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.601 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 36.6 mtm -54.59 -33.84 61.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 122.08 57.53 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.59 1.181 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 64' ' ' LEU . 25.1 m-85 -145.05 116.7 8.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -42.96 130.62 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.528 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -37.62 -56.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.3 t -45.17 -49.1 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 42' ' ' ASP . 20.7 t -62.31 -39.65 84.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.455 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -62.19 -50.55 71.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' CD ' HD13 ' A' ' 33' ' ' ILE . 3.9 mt-10 -64.22 -41.32 97.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.968 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -68.37 -38.12 81.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -61.69 -63.54 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' GLY . 5.0 mt -43.11 -41.14 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -64.42 -41.98 96.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.968 HG23 ' O ' ' A' ' 48' ' ' ALA . 49.0 t -58.06 -57.97 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 60' ' ' ALA . 22.2 m-85 -87.07 40.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 70.64 -57.85 0.94 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 161.62 42.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.413 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -104.37 115.3 30.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 6.8 t -56.86 -40.82 73.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -68.25 -64.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -39.26 -44.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HA ' ' CE1' ' A' ' 53' ' ' PHE . . . -61.61 -59.61 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.583 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -53.94 -54.89 32.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -38.0 -32.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 61' ' ' ALA . 25.9 m -99.29 -51.82 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 12.3 mt -49.99 -38.06 35.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.38 -61.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -41.57 -55.41 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.608 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -54.15 11.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.35 69.27 0.94 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.538 ' O ' ' CB ' ' A' ' 70' ' ' SER . . . 55.29 106.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 69' ' ' GLY . 2.5 t 156.31 -23.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.403 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 3.5 mt 64.42 161.76 0.12 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.483 ' HG2' ' CB ' ' A' ' 75' ' ' LEU . 18.4 Cg_endo -75.04 117.76 5.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -13.29 21.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.73 43.03 3.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.483 ' CB ' ' HG2' ' A' ' 72' ' ' PRO . 0.1 OUTLIER -85.52 -37.19 19.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' PHE . 29.0 tt0 -118.35 117.77 29.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -37.49 -57.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.73 97.85 5.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -170.48 -147.84 5.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 137.22 21.34 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.0 p -169.59 130.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.83 -58.2 8.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.117 . . . . 0.0 111.043 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -173.01 83.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.974 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -178.31 130.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.53 75.57 0.41 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.15 168.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.01 131.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.2 63.67 0.3 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 55.27 97.88 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -28.79 8.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.4 m170 48.53 45.81 21.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 41.9 mtm -37.97 -48.88 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' LEU . 48.0 m95 -67.82 -62.65 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 108.041 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.545 ' CE3' ' C ' ' A' ' 13' ' ' TRP . 0.1 OUTLIER 66.3 -78.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -65.16 -152.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -111.87 -25.43 9.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -179.5 154.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.09 -63.13 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 58.49 95.29 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.246 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -51.08 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 65.76 121.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -151.78 111.29 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -154.72 154.98 33.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.1 m -143.52 143.15 31.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 109.957 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -101.41 147.21 26.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -41.38 111.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -166.47 175.97 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.2 p -50.16 152.06 3.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.01 42.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.81 146.71 24.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.96 -58.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.8 tt0 -44.53 -66.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.461 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 14.8 m -39.05 -39.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.729 HD13 ' CD ' ' A' ' 47' ' ' GLU . 44.2 mt -75.64 -46.54 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLU . 3.0 m120 -59.33 -43.41 92.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -61.63 -28.65 69.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.605 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 11.5 mt -75.93 -55.88 5.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.497 HG21 ' OG1' ' A' ' 43' ' ' THR . 76.5 t -44.78 -36.58 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -57.1 -50.9 71.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.605 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 36.3 mtm -53.8 -33.6 56.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.43 59.04 0.22 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.571 1.169 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 18.8 m-85 -146.63 119.77 8.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' THR . 71.4 m-20 -43.45 131.89 4.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.497 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -38.12 -55.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.1 t -45.79 -50.54 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 4.3 t -59.66 -41.43 85.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.62 -54.88 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.729 ' CD ' HD13 ' A' ' 33' ' ' ILE . 2.5 mt-10 -57.29 -50.76 71.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.024 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -62.49 -49.08 76.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -48.87 -63.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.2 mt -43.01 -64.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -39.88 -45.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.024 HG23 ' O ' ' A' ' 48' ' ' ALA . 19.7 t -57.93 -71.25 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.587 ' HZ ' HG21 ' A' ' 63' ' ' THR . 30.1 m-85 -72.43 67.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.11 49.18 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 46.32 59.16 5.38 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 53' ' ' PHE . 16.9 m-20 -119.59 111.82 18.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.47 ' CG2' HD21 ' A' ' 50' ' ' LEU . 37.1 t -56.93 -53.19 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -54.96 -60.36 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -45.45 -60.17 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.0 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -44.61 -55.83 4.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.0 -31.19 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.587 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 1.2 m -91.72 -50.97 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 60.9 mt -55.23 -53.06 60.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.9 -43.1 13.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.37 -179.71 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.633 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 72.24 26.56 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.612 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.05 -49.64 3.8 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.444 1.09 . . . . 0.0 111.039 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 140.73 44.89 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.66 150.94 26.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 110.019 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 mt -45.4 157.28 0.37 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.801 ' O ' HD22 ' A' ' 75' ' ' LEU . 18.3 Cg_endo -75.02 137.59 21.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 72' ' ' PRO . 18.4 Cg_endo -74.93 -20.1 17.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.782 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.21 86.97 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.931 HD12 HG11 ' A' ' 52' ' ' VAL . 2.1 pt? -144.33 -46.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.706 ' H ' HD23 ' A' ' 75' ' ' LEU . 13.7 mm-40 -136.59 145.4 44.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.247 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.3 t80 46.86 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.6 p -64.14 131.24 46.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.47 -170.29 23.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.123 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 101.03 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.9 t -138.57 114.36 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.8 m 50.19 98.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.47 113.81 12.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.994 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m 63.94 164.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.032 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.82 166.14 23.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.23 121.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 109.969 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 p -74.74 138.29 42.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.45 147.86 18.77 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.7 m120 59.48 95.84 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.41 11.87 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 45.22 46.71 10.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.591 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.6 mtt -37.78 144.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.454 ' O ' ' N ' ' A' ' 14' ' ' LEU . 3.6 m0 -62.43 -62.18 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 108.056 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.511 ' CE3' ' C ' ' A' ' 13' ' ' TRP . 0.1 OUTLIER 66.84 -74.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.001 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.488 HD12 ' CD1' ' A' ' 13' ' ' TRP . 5.4 mp -61.12 83.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 13' ' ' TRP . 16.0 tt0 -111.86 -14.24 13.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 176.23 107.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 18' ' ' ASP . . . -107.84 -47.81 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.544 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 159.93 -50.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 18' ' ' ASP . 18.2 Cg_endo -75.02 -36.65 2.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 51.82 87.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -126.3 -60.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -77.71 106.21 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t -152.87 -61.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -126.24 96.21 4.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -79.76 116.58 20.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -162.63 98.73 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.7 t -172.62 131.97 0.66 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.598 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.0 -164.77 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.07 165.08 26.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -57.46 9.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.2 tt0 -49.73 -68.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' GLU . 36.0 p -36.71 -51.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.5 mt -64.4 -47.2 90.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' GLU . 23.2 m-20 -58.08 -46.79 84.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -58.65 -31.0 67.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.472 HD23 ' HE1' ' A' ' 39' ' ' MET . 12.6 mt -69.97 -58.42 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' GLY . 77.0 t -42.32 -45.94 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.91 -60.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.472 ' HE1' HD23 ' A' ' 36' ' ' LEU . 72.7 mtm -47.42 -34.67 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 37' ' ' VAL . . . 121.83 56.62 0.21 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.944 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 41.8 m-85 -140.02 114.32 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' THR . 5.6 m-20 -39.62 131.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -37.18 -59.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.419 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.1 t -40.66 -53.1 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.58 -43.52 83.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -60.49 -50.84 71.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.74 -40.18 96.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.996 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -69.14 -37.36 78.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -61.98 -63.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.598 HD13 ' CB ' ' A' ' 28' ' ' PRO . 3.9 mt -43.28 -41.35 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.0 mtt85 -64.12 -41.88 97.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 48' ' ' ALA . 46.9 t -58.42 -58.75 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 60' ' ' ALA . 22.0 m-85 -86.4 42.71 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 70.08 -58.47 0.8 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 163.21 41.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -102.93 132.88 48.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.9 t -73.85 -44.94 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -63.68 -54.93 27.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.53 -49.67 55.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.56 ' HA ' ' CE1' ' A' ' 53' ' ' PHE . . . -60.26 -60.19 4.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.11 -53.68 19.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.68 -46.09 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.6 m -80.38 -55.7 4.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.399 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 36.6 mt -44.55 -42.06 6.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.56 -58.95 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.44 77.85 2.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.599 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 178.73 -66.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.578 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.31 64.67 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.77 60.95 5.08 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.46 161.38 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.5 mt -92.88 163.45 25.62 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.01 146.67 32.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 72' ' ' PRO . 18.3 Cg_endo -75.03 -37.15 2.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.454 1.765 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.65 83.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.03 -58.47 1.98 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -86.26 112.33 21.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 60.75 97.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 m -83.01 162.5 21.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.94 -162.76 11.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.05 42.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.3 t -132.32 -57.66 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.2 p 178.95 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 p -62.17 -58.61 7.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 0.78 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.36 129.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.02 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.53 -75.88 2.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 p -46.9 162.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 110.032 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.39 125.4 44.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.976 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.29 163.98 13.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.552 1.157 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -161.39 99.87 1.24 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.438 0.728 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 149.21 36.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.544 1.813 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 11' ' ' MET . 67.4 m80 -86.27 46.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.589 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 10' ' ' HIS . 18.4 mtt -36.2 -44.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.529 ' CG ' ' O ' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -76.27 90.3 3.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 107.974 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -97.61 65.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.15 76.57 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -122.92 126.34 47.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -137.29 129.01 28.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.18 -61.23 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.56 132.41 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.36 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -167.19 112.67 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -121.08 105.68 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -112.09 -50.39 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.55 139.82 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.067 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.86 140.15 52.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -47.04 118.61 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -166.33 171.31 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.66 150.71 0.12 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 162.19 37.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.01 146.17 27.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -38.91 -59.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' ASN . 49.1 mt-10 -45.86 -65.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.418 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 48.7 m -39.53 -34.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.963 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.522 HG23 ' HB3' ' A' ' 46' ' ' ALA . 27.7 mt -81.29 -46.08 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' GLU . 70.4 m-20 -59.9 -39.79 86.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -65.52 -27.54 68.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.604 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 11.7 mt -76.26 -53.55 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.456 HG21 ' OG1' ' A' ' 43' ' ' THR . 76.8 t -43.52 -38.81 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.85 -60.54 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.604 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 40.5 mtm -44.63 -34.44 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.563 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.22 61.2 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 26.1 m-85 -148.0 115.28 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.793 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' THR . 11.7 m-20 -40.95 132.01 2.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.456 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -37.54 -55.16 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 110.452 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -46.59 -51.63 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.503 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 5.2 t -58.17 -40.75 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.522 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -62.44 -57.76 10.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.4 ' CD ' HD13 ' A' ' 33' ' ' ILE . 7.2 mt-10 -54.4 -52.98 60.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.03 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -60.27 -48.65 80.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.529 ' HB2' HD21 ' A' ' 71' ' ' LEU . . . -49.4 -65.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.0 mt -41.2 -66.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -38.16 -46.68 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.03 HG23 ' O ' ' A' ' 48' ' ' ALA . 21.5 t -57.6 -73.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.68 ' HZ ' HG21 ' A' ' 63' ' ' THR . 29.8 m-85 -69.73 64.72 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 29.56 51.2 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 39.52 69.64 0.41 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -131.25 101.93 5.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 41.6 t -43.85 -42.92 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' LEU . 1.3 tt0 -63.45 -71.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' GLN . 0.4 OUTLIER -40.11 -54.57 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.551 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -53.36 -61.32 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.65 -57.93 6.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -39.17 -34.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.68 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 2.5 m -91.13 -54.98 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.387 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.571 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 23.5 mt -48.44 -34.31 10.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.6 -49.25 10.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -58.36 -73.59 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -40.36 -60.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 122.57 39.99 0.52 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.09 -45.31 1.39 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 m -64.22 135.79 56.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' ' 49' ' ' ALA . 23.9 mt -87.41 161.44 45.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 127.57 10.83 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.469 1.773 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.4 18.02 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.525 1.802 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -174.19 99.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.08 HD22 ' N ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -128.1 -41.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 1.08 ' N ' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER 28.68 89.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 78' ' ' SER . 4.9 t80 -69.98 147.07 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.585 ' O ' ' CE2' ' A' ' 77' ' ' PHE . 29.4 t -83.22 126.32 32.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 177.02 172.01 41.18 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.12 25.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.58 121.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 t -150.72 130.16 12.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.2 -57.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.23 159.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.97 167.56 39.77 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.67 162.79 24.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 110.007 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.01 133.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.88 150.61 13.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -148.71 148.19 27.14 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 148.02 34.67 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' MET . 66.0 m-70 -85.79 46.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' HIS . 36.0 mtp -36.42 145.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER 42.19 82.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 107.996 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -43.61 -51.56 6.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 108.012 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -150.43 21.43 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 13.0 pt20 45.25 -163.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -140.3 166.31 25.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -164.47 -50.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.77 141.93 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -58.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.41 1.742 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -156.32 -57.84 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -179.62 -46.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -175.44 -56.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.71 170.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 62.36 148.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.03 169.74 7.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.68 63.43 2.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.2 m -135.82 156.82 77.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.474 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.0 -179.96 5.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.771 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -125.24 151.13 46.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' A' ' 34' ' ' ASN . 1.1 tp60 -39.36 -41.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.491 ' CB ' ' OE1' ' A' ' 35' ' ' GLN . 4.5 mt-10 -55.86 -78.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 31' ' ' GLU . 6.0 m -36.51 -50.28 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.043 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.9 mt -58.43 -51.02 76.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLU . 93.1 m-20 -60.98 -47.12 87.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.491 ' OE1' ' CB ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -57.84 -28.5 64.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.627 HD23 ' CE ' ' A' ' 39' ' ' MET . 10.2 mt -73.21 -54.14 9.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.465 HG21 ' OG1' ' A' ' 43' ' ' THR . 69.5 t -46.28 -42.1 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.08 -50.62 35.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.627 ' CE ' HD23 ' A' ' 36' ' ' LEU . 56.5 mtm -57.34 -32.86 67.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.509 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 122.36 54.91 0.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 12.4 m-85 -140.92 112.5 7.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' THR . 1.0 OUTLIER -40.09 131.15 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.465 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -36.42 -56.57 0.79 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.422 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.4 t -45.18 -51.95 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 7.2 t -58.68 -39.93 77.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.31 -52.5 61.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.57 -51.0 71.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.03 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -62.36 -49.09 76.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -49.41 -67.29 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.474 HD13 ' CB ' ' A' ' 28' ' ' PRO . 2.5 mt -40.25 -67.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -36.95 -46.31 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.03 HG23 ' O ' ' A' ' 48' ' ' ALA . 22.9 t -58.95 -75.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.612 ' HZ ' HG21 ' A' ' 63' ' ' THR . 24.4 m-85 -68.16 64.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.05 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 29.21 48.22 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 43.79 68.67 0.8 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -130.8 100.02 5.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.429 ' CG2' ' OG ' ' A' ' 32' ' ' SER . 79.2 t -41.83 -44.19 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -62.27 -71.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' GLN . 0.6 OUTLIER -40.2 -48.52 2.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.509 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -58.36 -59.76 4.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 63' ' ' THR . . . -52.67 -56.85 12.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.3 -27.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.612 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 49.0 m -96.07 -48.16 5.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 18.9 mt -58.68 -51.87 68.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.64 -56.05 26.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -41.92 -68.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.614 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -47.76 -69.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.616 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.45 51.0 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.69 61.34 2.31 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.11 148.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.3 mt -85.74 161.24 51.17 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.437 ' HG2' ' CB ' ' A' ' 75' ' ' LEU . 18.4 Cg_endo -75.0 145.74 31.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 72' ' ' PRO . 18.3 Cg_endo -74.98 -23.9 13.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.48 89.89 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.437 ' CB ' ' HG2' ' A' ' 72' ' ' PRO . 1.3 tp -107.42 -53.45 2.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -118.77 73.51 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -91.36 172.93 8.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -114.09 -176.22 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.43 98.52 1.09 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 82' ' ' SER . 18.5 Cg_endo -74.95 -35.93 2.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.485 1.781 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.5 m 56.35 -87.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -105.31 -56.06 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.22 149.51 10.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 t -158.44 129.02 6.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.02 89.92 1.02 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.49 109.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.02 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -173.53 152.14 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.35 129.06 6.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -162.61 99.88 1.09 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 117.33 4.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -49.43 -34.35 16.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.646 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.3 mtt 57.23 161.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -133.16 -54.7 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 108.009 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.427 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.3 OUTLIER 178.81 -74.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.8 mt -118.61 102.38 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -108.23 -25.52 11.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' ALA . 11.1 t0 -59.94 -33.42 71.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ASP . . . 40.06 79.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.24 121.82 11.37 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -42.84 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -38.83 -61.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.335 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -40.8 -55.5 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -71.08 87.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -176.33 161.95 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.964 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.1 mtt-85 56.18 171.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -111.27 103.47 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -169.77 116.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t 62.47 151.48 0.11 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.977 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.575 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.97 -178.92 4.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m -124.1 152.98 42.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -46.35 -38.56 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 34' ' ' ASN . 7.3 tp10 -63.81 -69.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.458 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 26.5 m -40.54 -33.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.863 HD13 ' CD ' ' A' ' 47' ' ' GLU . 58.5 mt -80.74 -45.97 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' GLU . 89.4 m-20 -61.44 -40.67 95.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -64.27 -26.5 68.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.673 HD23 ' CE ' ' A' ' 39' ' ' MET . 10.0 mt -75.99 -58.36 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.514 HG21 ' OG1' ' A' ' 43' ' ' THR . 78.9 t -43.74 -45.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.8 -50.3 10.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.673 ' CE ' HD23 ' A' ' 36' ' ' LEU . 59.5 mtm -57.49 -40.4 78.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.549 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 131.21 56.68 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.57 ' CG ' HD13 ' A' ' 64' ' ' LEU . 12.5 m-85 -143.04 114.91 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' VAL . 2.1 m-20 -40.84 131.36 2.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.514 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -37.71 -54.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.0 t -46.81 -50.62 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 6.2 t -59.25 -41.99 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -62.39 -56.85 14.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.863 ' CD ' HD13 ' A' ' 33' ' ' ILE . 6.3 mt-10 -59.14 -50.81 72.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.342 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.478 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -59.34 -50.02 75.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -48.44 -55.23 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.575 HD13 ' CB ' ' A' ' 28' ' ' PRO . 4.4 mt -51.92 -24.28 6.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -83.01 -26.26 31.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 48' ' ' ALA . 20.1 t -78.92 -47.27 23.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.57 ' HZ ' HG21 ' A' ' 63' ' ' THR . 44.3 m-85 -95.73 41.69 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 68.63 -58.92 0.48 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 163.71 41.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -105.76 118.5 36.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 13.9 t -61.24 -42.75 94.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -62.33 -63.14 1.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -40.61 -50.96 3.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.551 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -54.81 -59.56 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 63' ' ' THR . . . -53.71 -58.26 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.03 -31.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.57 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 3.1 m -88.65 -54.33 4.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.396 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.57 HD13 ' CG ' ' A' ' 41' ' ' PHE . 34.2 mt -54.23 -53.44 53.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.59 -56.05 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -40.69 -51.59 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.589 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -93.62 -162.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.593 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.83 68.68 0.86 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 44.08 63.58 2.27 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.3 m -164.11 135.96 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.33 160.15 25.87 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.453 ' HG2' ' CB ' ' A' ' 75' ' ' LEU . 18.1 Cg_endo -75.02 144.34 30.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 72' ' ' PRO . 18.3 Cg_endo -75.0 -24.2 13.05 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.487 1.783 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.99 91.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.453 ' CB ' ' HG2' ' A' ' 72' ' ' PRO . 1.8 tp -115.19 -47.96 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -107.59 119.64 39.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.18 140.7 47.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.9 m -114.83 151.09 34.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.79 -75.86 0.19 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.41 5.64 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.806 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.5 p -149.64 158.5 44.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.69 107.21 18.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.95 164.04 33.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.976 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -95.18 155.22 16.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.52 101.7 0.48 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m 62.62 131.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 0.735 . . . . 0.0 109.941 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 t -151.86 122.8 7.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.79 -114.68 0.62 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -52.1 130.93 40.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 137.91 22.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -48.75 -37.47 19.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.586 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.7 mtp 53.17 92.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.447 ' CZ2' ' HB2' ' A' ' 17' ' ' ALA . 95.9 m95 -68.2 -71.87 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 108.016 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 74.13 133.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.1 mt 47.55 94.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 70.16 120.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.93 168.55 9.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB2' ' CZ2' ' A' ' 12' ' ' TRP . . . -46.08 -58.7 3.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -134.21 97.28 15.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -54.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.791 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -128.74 77.98 1.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -134.3 127.11 31.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -42.09 115.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.78 107.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.975 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -85.65 141.04 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -51.69 160.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.31 174.97 13.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.21 164.45 0.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.05 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.631 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.02 175.34 11.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.34 147.11 42.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.87 -33.93 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' ASN . 23.2 mt-10 -65.31 -71.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.412 ' OG ' ' CG2' ' A' ' 57' ' ' VAL . 2.4 m -40.72 -35.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.406 HG13 ' CD1' ' A' ' 50' ' ' LEU . 44.0 mt -75.54 -46.45 37.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' GLU . 57.3 m-20 -63.49 -42.9 98.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -61.76 -28.66 69.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.7 HD23 ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -74.47 -54.28 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.532 HG21 ' OG1' ' A' ' 43' ' ' THR . 79.1 t -46.32 -37.57 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -57.63 -54.9 41.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.7 ' CE ' HD23 ' A' ' 36' ' ' LEU . 32.9 mtm -50.31 -36.89 33.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 125.82 57.92 0.16 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.608 ' CG ' HD13 ' A' ' 64' ' ' LEU . 26.7 m-85 -146.98 113.22 5.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 0.765 . . . . 0.0 111.043 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' PHE . 5.3 m-20 -40.61 134.43 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.532 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -40.16 -59.06 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.421 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.5 t -41.46 -51.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 4.6 t -60.31 -41.7 88.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -62.45 -55.09 30.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.496 ' OE2' ' CG2' ' A' ' 43' ' ' THR . 4.1 mt-10 -59.57 -50.69 72.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -60.3 -48.99 79.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -50.17 -55.37 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.631 HD13 ' CB ' ' A' ' 28' ' ' PRO . 6.1 mt -52.8 -21.58 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.68 -24.61 25.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.618 ' CG1' HD21 ' A' ' 75' ' ' LEU . 16.3 t -80.13 -42.99 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 32.2 m-85 -102.37 44.07 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 68.16 -60.44 0.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 165.93 41.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.424 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.0 OUTLIER -105.52 124.98 50.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.49 HG13 ' CD2' ' A' ' 36' ' ' LEU . 81.0 t -67.15 -43.31 88.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -58.28 6.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -45.0 -39.23 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -70.27 -62.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.604 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -48.02 -46.77 33.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.69 -39.82 25.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.479 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 1.8 m -78.96 -47.92 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.608 HD13 ' CG ' ' A' ' 41' ' ' PHE . 41.3 mt -57.91 -60.87 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.9 -54.61 12.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -51.57 -79.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.601 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -40.55 -83.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.594 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 165.49 41.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.52 -34.84 3.88 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 99.8 p -74.4 142.6 45.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.729 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.5 mt -69.6 162.75 65.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.614 ' CG ' HD23 ' A' ' 75' ' ' LEU . 18.2 Cg_endo -75.02 115.39 4.27 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -12.78 21.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.536 1.809 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -90.22 -56.55 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.764 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -59.12 -45.33 91.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.455 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 3.2 pp0? -138.11 120.94 16.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -115.34 -175.23 2.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.44 70.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 121.86 94.65 1.29 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 82' ' ' SER . 18.3 Cg_endo -75.02 63.16 5.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.51 -70.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.977 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.4 OUTLIER 60.69 78.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.945 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.117 . . . . 0.0 111.013 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -123.56 139.57 53.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.88 158.85 26.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.74 -167.52 37.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 m -142.16 162.28 35.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 0.79 . . . . 0.0 109.966 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 p -122.44 138.97 54.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.39 -117.21 3.14 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 58.44 95.37 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.09 19.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.481 1.779 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -50.65 -41.9 55.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.592 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.496 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 7.1 mtt 59.56 156.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.496 ' CD1' ' O ' ' A' ' 11' ' ' MET . 21.0 m95 -153.39 -171.33 3.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' LEU . 38.5 p90 -124.93 -61.47 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' A' ' 12' ' ' TRP . 8.3 mp 39.36 45.97 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 64.82 100.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -170.83 93.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.49 -65.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 51.06 96.27 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -51.04 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.445 1.76 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' ASN . 12.5 pt-20 -126.13 -43.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 t30 70.12 -63.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.3 t-20 -161.19 113.07 1.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.1 106.58 8.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -52.69 157.67 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -116.96 83.92 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 47.39 82.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.3 p -158.78 83.6 2.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.525 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.01 155.67 42.88 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.44 1.758 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.58 145.51 27.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.94 -43.78 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.502 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 16.5 tt0 -60.13 -46.03 91.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.3 m -60.08 -35.89 76.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 46' ' ' ALA . 27.9 mt -78.34 -44.62 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -64.38 -38.68 91.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 31' ' ' GLU . 5.7 mm-40 -66.56 -26.43 67.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.667 HD23 ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -76.14 -56.8 4.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 41' ' ' PHE . 73.2 t -47.0 -37.04 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.39 -47.9 56.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.667 ' CE ' HD23 ' A' ' 36' ' ' LEU . 67.2 mtm -61.79 -35.19 77.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 127.79 53.8 0.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 13.2 m-85 -138.33 111.04 7.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' VAL . 9.3 m-20 -39.09 131.54 1.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.476 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.1 m -36.45 -54.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.2 t -48.76 -49.93 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 10.8 t -59.16 -40.79 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.497 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -63.07 -57.53 10.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.431 ' CD ' HD13 ' A' ' 33' ' ' ILE . 3.8 mt-10 -54.65 -51.63 64.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.02 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -61.69 -51.02 70.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -47.05 -62.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.525 HD13 ' CB ' ' A' ' 28' ' ' PRO . 3.0 mt -44.4 -66.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' LEU . 35.9 mtt180 -38.26 -44.0 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.02 HG23 ' O ' ' A' ' 48' ' ' ALA . 16.7 t -59.63 -74.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 26.0 m-85 -69.45 65.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.72 44.16 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 53.76 59.37 9.89 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' PHE . 2.0 m120 -119.28 97.53 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.417 ' CG2' HD21 ' A' ' 50' ' ' LEU . 37.6 t -40.53 -44.43 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -63.41 -73.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.489 HD22 ' CD ' ' A' ' 62' ' ' GLN . 0.5 OUTLIER -41.06 -28.94 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.557 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -75.63 -51.03 13.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 58' ' ' GLN . . . -69.82 -51.89 29.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.511 ' CG ' ' N ' ' A' ' 63' ' ' THR . 6.3 pt20 -37.58 -47.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.345 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.511 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 1.1 m -77.54 -53.91 7.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.73 HD21 ' HG ' ' A' ' 71' ' ' LEU . 77.4 mt -48.59 -58.02 5.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.28 -52.09 17.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.29 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.603 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -48.81 -56.48 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.584 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 143.68 -15.08 2.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.56 39.04 0.55 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -122.47 -2.65 8.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.995 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.73 ' HG ' HD21 ' A' ' 64' ' ' LEU . 4.4 mt 67.64 155.66 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.473 ' HD2' ' CD2' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.03 136.29 20.14 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.76 14.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.452 1.764 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -156.08 54.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.662 HD12 ' N ' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -37.81 -92.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.539 ' H ' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -87.42 76.55 9.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.238 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.2 t80 39.64 83.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 t -92.56 -61.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 105.85 93.29 2.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 79.61 2.63 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.54 1.811 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.95 -56.41 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.978 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.2 m 59.96 98.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.989 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 p -167.42 121.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 0.8 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.27 133.07 30.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.985 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.61 173.79 18.87 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 p -131.87 170.33 15.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 p -120.56 130.4 54.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.05 166.05 2.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -139.8 127.98 13.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 135.38 19.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.047 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -41.46 61.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 11.2 mtp 60.62 145.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -143.6 -171.54 3.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.008 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.419 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.6 OUTLIER 179.38 -59.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 107.988 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.702 ' H ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -150.09 -170.31 3.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 170.58 7.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -143.82 169.85 17.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ASP . . . -124.89 91.96 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' ALA . 2.1 p30 -40.38 101.11 0.23 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -1.35 11.11 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 71.78 62.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.252 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 173.91 90.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -121.63 -48.12 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' GLN . 25.2 m 58.52 171.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -61.37 82.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.509 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 1.6 mt-30 176.94 128.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.237 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 25' ' ' GLN . . . 72.13 -178.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.57 164.29 0.25 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.425 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.2 Cg_endo -75.01 178.56 7.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.442 1.759 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.63 172.61 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.81 -46.69 87.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' ASN . 0.8 OUTLIER -52.86 -76.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.452 ' CB ' ' CG2' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -36.2 -59.38 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.428 HD13 ' CD ' ' A' ' 47' ' ' GLU . 14.5 mt -52.29 -47.47 45.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' GLU . 12.1 m-20 -61.87 -52.6 63.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -52.35 -28.63 20.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.524 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.1 mt -72.57 -57.52 4.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.4 t -41.62 -44.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.97 -55.54 5.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.524 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 49.1 mtm -51.83 -33.31 35.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.13 54.88 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 64' ' ' LEU . 44.0 m-85 -140.32 112.81 7.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.773 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' PHE . 3.9 m-20 -39.6 132.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -38.1 -58.66 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.4 t -42.4 -51.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 10.8 t -59.5 -39.84 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -64.7 -49.48 70.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.428 ' CD ' HD13 ' A' ' 33' ' ' ILE . 4.0 mt-10 -62.05 -48.99 77.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.015 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -64.79 -47.17 79.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -51.03 -64.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.8 mt -42.34 -63.48 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -40.05 -44.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.312 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.015 HG23 ' O ' ' A' ' 48' ' ' ALA . 22.6 t -59.26 -73.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.174 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.543 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 25.2 m-85 -69.77 67.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 27.51 52.25 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 42.18 57.24 3.7 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' PHE . 1.7 m-80 -117.22 105.49 12.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.452 ' CG2' ' CB ' ' A' ' 32' ' ' SER . 23.5 t -49.61 -52.09 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -56.27 -68.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.5 OUTLIER -39.47 -60.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.543 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -47.57 -64.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -47.03 -58.11 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -38.33 -32.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' ALA . 5.5 m -95.46 -51.84 4.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 13.1 mt -50.57 -36.01 32.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.57 -51.82 25.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.67 76.09 6.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -176.79 -63.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.585 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 141.25 -15.02 2.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.34 31.53 5.83 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.8 t -118.87 -3.45 10.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 0.801 . . . . 0.0 109.974 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mt 61.09 155.06 0.11 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 133.53 16.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -18.96 18.18 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.7 85.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -114.79 -58.73 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.41 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -81.26 83.63 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -133.37 128.07 34.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.7 t -133.88 149.95 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.97 -98.46 1.57 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 148.29 35.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.2 t -147.13 137.57 23.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 t -115.03 150.42 35.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -76.99 142.34 40.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -83.87 -58.5 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.54 65.01 1.47 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.96 -59.58 1.88 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 0.773 . . . . 0.0 110.031 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 t -74.72 -59.58 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.75 102.44 0.82 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -104.94 137.01 19.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 149.35 36.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.512 1.796 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' MET . 32.2 m170 -86.41 46.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.606 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' HIS . 28.4 mtt -36.29 143.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.3 p90 -118.66 107.15 13.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 107.998 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 22.9 p90 -98.39 64.22 1.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 107.979 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -146.6 121.81 10.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -97.67 123.6 41.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -79.36 142.27 36.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -163.62 -61.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 49.97 95.12 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -45.39 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.34 110.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.253 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -150.43 132.59 15.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.21 96.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -167.73 -45.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 166.18 9.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 63.01 145.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.82 132.08 41.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.376 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.53 160.8 31.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.495 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.93 174.95 11.89 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.518 1.799 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.49 151.89 30.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.1 -40.06 22.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' ASN . 2.7 tp10 -61.24 -68.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.431 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 63.8 m -40.94 -34.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 37' ' ' VAL . 41.3 mt -77.31 -45.97 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' GLU . 43.7 m-20 -63.4 -42.03 98.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -62.57 -30.24 71.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.705 HD23 ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -72.46 -57.96 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.5 HG21 ' OG1' ' A' ' 43' ' ' THR . 85.9 t -43.88 -42.74 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.62 -49.31 27.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.705 ' CE ' HD23 ' A' ' 36' ' ' LEU . 55.2 mtm -57.91 -35.66 71.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.524 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 125.53 55.54 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 12.4 m-85 -141.59 114.57 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 0.786 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 43' ' ' THR . 5.8 m-20 -40.4 130.28 2.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.5 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.1 m -36.75 -56.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.3 t -45.27 -51.95 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.525 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 4.8 t -57.92 -41.19 79.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.86 -58.88 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -50.71 -54.19 25.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.767 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -61.58 -55.72 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -39.98 -47.62 2.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.495 HD13 ' CB ' ' A' ' 28' ' ' PRO . 3.5 mt -60.77 -51.47 69.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -52.75 -24.98 9.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 48' ' ' ALA . 3.8 t -80.75 -73.89 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.693 ' HZ ' HG21 ' A' ' 63' ' ' THR . 17.6 m-85 -73.2 67.99 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.569 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 21.45 60.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 37.71 60.62 1.2 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 53' ' ' PHE . 1.6 m-80 -118.82 92.71 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 39.5 t -39.86 -49.29 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.81 -67.79 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.43 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -43.43 -43.97 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.556 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -59.49 -58.45 8.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -53.43 -59.07 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -38.27 -30.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.693 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 3.2 m -93.97 -57.41 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.399 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 73.3 mt -48.04 -42.03 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.02 -64.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -41.64 -66.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.613 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.05 -65.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.604 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 122.91 41.74 0.43 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.12 62.02 1.38 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 p 179.18 163.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.036 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 mt -105.17 164.19 15.61 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.729 ' HG2' HD22 ' A' ' 75' ' ' LEU . 18.3 Cg_endo -75.04 152.5 40.64 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.84 20.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.12 116.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.729 HD22 ' HG2' ' A' ' 72' ' ' PRO . 2.7 pt? -132.14 -50.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.428 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -83.76 100.47 10.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -48.02 100.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.33 166.06 3.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.05 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.52 88.03 1.46 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -171.81 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.0 p -100.09 163.81 12.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 110.006 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.8 m -83.37 129.01 34.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 p -107.22 148.82 28.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 109.987 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -175.78 125.22 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.56 -179.04 22.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 40.53 91.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m 60.13 79.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.4 172.86 17.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -102.33 110.87 63.74 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.257 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -24.91 12.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 43.68 48.05 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.606 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.5 mtp -38.36 158.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.507 ' CG ' ' OD2' ' A' ' 16' ' ' ASP . 0.9 OUTLIER 42.06 85.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 107.976 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.9 p90 -56.86 -32.49 65.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 108.022 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.5 mt -141.04 -170.11 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -41.09 103.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.507 ' OD2' ' CG ' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -47.49 171.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 18' ' ' ASP . . . -119.29 -58.1 1.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' ALA . 0.9 OUTLIER 59.0 157.69 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -37.04 2.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.782 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -86.04 70.2 10.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 t30 178.35 93.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.21 -54.99 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 97.5 p -171.93 116.9 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -50.5 130.86 24.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.12 92.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.274 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 41.15 78.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.79 96.18 0.55 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 163.5 35.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.78 153.66 22.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -45.75 -37.57 6.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -62.94 -70.81 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.464 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 12.7 m -39.69 -40.7 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.2 mt -71.24 -46.55 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLU . 13.9 m-20 -62.27 -44.72 95.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -60.57 -28.86 68.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.256 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' CD2' ' HE1' ' A' ' 39' ' ' MET . 12.2 mt -74.38 -57.06 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' LEU . 53.7 t -40.07 -45.02 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.33 -64.93 0.63 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.664 ' HE1' ' HB2' ' A' ' 61' ' ' ALA . 2.1 mtp -42.28 -34.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.602 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.39 71.7 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 55.6 m-85 -158.57 113.72 2.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' THR . 9.3 m-20 -39.94 131.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -36.32 -60.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -41.45 -54.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 5.9 t -56.95 -40.13 70.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -63.62 -51.78 63.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.73 -50.62 72.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.023 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -62.3 -47.69 83.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.138 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -50.01 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.1 mt -41.88 -64.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.234 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -38.75 -44.31 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.023 HG23 ' O ' ' A' ' 48' ' ' ALA . 21.8 t -60.89 -75.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 22.1 m-85 -68.12 67.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 27.99 54.97 0.12 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 38.19 59.96 1.41 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.429 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.5 m-80 -121.28 110.13 15.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 61.4 t -52.64 -57.18 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -51.33 -67.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.248 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.429 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -39.73 -71.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.575 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -41.33 -60.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.664 ' HB2' ' HE1' ' A' ' 39' ' ' MET . . . -48.09 -45.87 33.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 63' ' ' THR . 0.4 OUTLIER -47.84 -48.38 30.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 2.2 m -80.15 -44.14 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.444 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 12.0 mt -56.28 -29.93 61.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 61' ' ' ALA . . . -81.34 -52.92 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -50.1 -58.5 5.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.58 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -56.82 8.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.585 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.54 51.9 0.89 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 70' ' ' SER . . . 68.88 107.07 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 69' ' ' GLY . 2.6 t 157.35 -23.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mt 60.57 155.15 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.443 ' HG2' ' CB ' ' A' ' 75' ' ' LEU . 18.4 Cg_endo -75.02 145.26 31.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.67 13.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.1 89.66 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.443 ' CB ' ' HG2' ' A' ' 72' ' ' PRO . 1.2 tp -107.62 -56.88 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -128.63 74.7 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 11.5 t80 42.51 87.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.4 m -110.08 -59.9 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -169.59 -177.56 40.18 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.437 1.085 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.19 4.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.8 t 66.67 122.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.5 m -103.23 169.91 8.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.043 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m 62.13 130.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 0.801 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -162.86 136.19 5.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.38 155.36 8.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -138.43 149.96 46.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.793 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.41 -60.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.034 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.96 -176.72 27.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.128 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -167.39 137.18 2.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 139.4 24.32 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -35.18 75.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 0.0 109.592 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.7 mtt 54.59 106.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -126.56 56.48 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 107.96 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.443 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 35.3 p90 -153.04 -55.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' A' ' 13' ' ' TRP . 8.4 mp 38.15 39.87 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.4 129.45 39.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -166.06 160.29 16.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.26 102.41 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -47.05 108.58 0.89 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.37 3.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.774 . . . . 0.0 111.012 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -76.6 69.57 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.6 t30 66.87 108.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.352 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -102.69 122.43 44.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 t 60.67 149.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -87.19 85.9 7.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -135.17 155.0 51.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.88 85.42 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -173.87 123.03 0.4 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.021 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.598 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.3 Cg_endo -75.05 164.43 33.28 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.049 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 p -98.05 139.86 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' ILE . 1.1 tp60 -38.45 -65.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 18.1 mt-10 -40.62 -44.78 2.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.25 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 m -60.2 -45.44 93.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.938 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.598 HD11 ' HG2' ' A' ' 28' ' ' PRO . 20.3 mt -70.33 -46.67 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -60.91 -41.7 96.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 31' ' ' GLU . 5.8 mm-40 -63.68 -26.77 68.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 11.3 mt -74.89 -58.27 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.437 HG21 ' OG1' ' A' ' 43' ' ' THR . 77.8 t -41.18 -43.36 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.59 -59.2 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.526 ' CE ' ' HB2' ' A' ' 61' ' ' ALA . 69.6 mtm -49.4 -32.7 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.95 58.16 0.25 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 33.0 m-85 -141.24 115.47 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 43' ' ' THR . 86.4 m-20 -40.28 130.0 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 1.1 m -36.7 -55.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.475 HG23 ' H ' ' A' ' 45' ' ' VAL . 2.9 m -44.88 -55.73 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.475 ' H ' HG23 ' A' ' 44' ' ' VAL . 6.3 t -55.72 -39.71 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -62.25 -51.18 68.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' CD ' HD13 ' A' ' 33' ' ' ILE . 4.0 mt-10 -65.17 -43.53 91.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.003 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -65.73 -40.15 91.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -59.48 -66.35 0.53 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' GLY . 2.5 mt -41.67 -43.97 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -60.84 -44.23 97.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.003 HG23 ' O ' ' A' ' 48' ' ' ALA . 42.3 t -57.09 -57.5 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 20.4 m-85 -87.61 40.56 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 69.68 -58.51 0.71 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.66 42.11 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.412 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -101.55 112.25 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 109.299 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 t -54.94 -40.7 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -68.01 -65.5 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.5 OUTLIER -39.67 -46.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.563 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -59.94 -61.57 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.526 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -51.11 -54.95 20.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.92 -34.63 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.469 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 13.3 m -90.11 -56.3 3.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 82.2 mt -47.21 -48.13 24.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.47 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -40.8 -62.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.587 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -55.51 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.612 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.91 -14.23 3.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 114.16 19.07 6.46 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.7 t -107.66 -3.6 19.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.463 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 3.3 mt 63.5 154.97 0.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.533 ' HG2' ' CD2' ' A' ' 75' ' ' LEU . 18.3 Cg_endo -75.03 129.93 12.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.81 19.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -63.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -70.99 -41.85 70.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.712 ' N ' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -105.43 79.62 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.46 123.03 11.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.48 78.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.33 104.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 147.31 33.67 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.5 t -56.55 108.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.58 84.02 1.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 65.35 113.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.67 156.6 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.23 111.15 1.44 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.82 164.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.65 -61.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.56 55.09 0.15 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 176.26 125.36 0.16 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 149.72 37.16 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 11' ' ' MET . 14.6 p-80 -86.6 46.0 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.55 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 13' ' ' TRP . 49.4 mtp -36.35 -61.28 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' MET . 16.7 m0 40.7 -98.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 107.972 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' MET . 27.4 t-105 78.39 -70.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 107.989 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.6 mt -138.37 54.28 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.01 173.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.61 88.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.3 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 173.47 122.18 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -60.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 40.93 71.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -178.18 155.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 174.43 97.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m 59.93 98.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.064 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.27 90.06 6.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.59 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 14.9 pt20 -46.84 133.31 10.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 25' ' ' GLN . . . 76.31 -177.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.0 p -40.67 156.32 0.19 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.643 ' HB2' HD13 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.05 157.66 42.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.784 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' GLN . 4.6 m -89.54 140.34 29.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.045 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 29' ' ' SER . 2.3 tp60 -38.56 -52.35 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' ASN . 9.0 mt-10 -50.16 -65.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 m -40.62 -29.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.819 HD13 ' CD ' ' A' ' 47' ' ' GLU . 32.0 mt -87.52 -45.08 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' GLU . 72.7 m-20 -61.61 -36.76 81.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -68.75 -26.18 65.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.23 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.557 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.4 mt -75.78 -52.64 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.538 HG21 ' OG1' ' A' ' 43' ' ' THR . 73.6 t -47.56 -39.48 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -52.16 -46.77 65.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.594 ' CE ' ' HB2' ' A' ' 61' ' ' ALA . 44.8 mtm -60.42 -32.61 71.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.23 54.08 0.23 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 36.3 m-85 -140.21 116.77 10.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.747 ' OD1' HG23 ' A' ' 44' ' ' VAL . 2.1 t0 -40.4 132.54 2.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.538 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.1 m -40.94 -40.64 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.747 HG23 ' OD1' ' A' ' 42' ' ' ASP . 2.8 t -62.08 -47.02 95.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.522 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 13.1 t -59.73 -35.46 60.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.592 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -69.32 -61.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.819 ' CD ' HD13 ' A' ' 33' ' ' ILE . 3.3 mt-10 -50.9 -51.32 53.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -59.51 -50.63 73.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 45' ' ' VAL . . . -48.04 -52.91 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.643 HD13 ' HB2' ' A' ' 28' ' ' PRO . 5.7 mt -56.42 -24.31 44.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -81.91 -24.52 35.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 48' ' ' ALA . 15.5 t -78.53 -55.53 9.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 18.7 m-85 -90.4 44.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 67.97 -59.11 0.37 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 164.25 42.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -103.86 120.13 40.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.7 t -62.79 -41.38 92.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -61.61 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.408 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -42.35 -38.82 1.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -69.64 -62.65 1.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -48.73 -41.48 32.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -38.28 66.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.448 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 18.0 m -86.3 -49.12 7.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.828 HD21 HD21 ' A' ' 71' ' ' LEU . 33.9 mt -58.87 -18.14 30.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 61' ' ' ALA . . . -84.78 -49.87 8.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -56.09 25.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.583 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -60.73 -87.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.618 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 135.5 44.92 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.78 48.85 2.62 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.6 m -171.21 120.4 0.51 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 0.742 . . . . 0.0 109.978 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.828 HD21 HD21 ' A' ' 64' ' ' LEU . 1.1 mm? -81.96 158.6 67.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.05 146.37 32.4 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 72' ' ' PRO . 18.1 Cg_endo -75.05 -37.2 2.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -146.84 78.17 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.01 -62.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 13.2 pt20 -91.16 112.62 24.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.579 ' O ' ' CD2' ' A' ' 77' ' ' PHE . 51.3 p90 -95.43 111.06 23.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 t -170.71 82.3 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.049 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 153.39 -147.9 17.95 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -39.1 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.47 1.773 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.5 m 61.96 108.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.963 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 37.1 p -126.16 123.79 39.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.033 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 p 58.76 113.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 110.012 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.61 164.39 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.11 -175.57 37.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.69 166.96 6.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.966 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.19 164.05 33.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.29 -173.96 18.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.541 1.151 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -144.97 160.56 46.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -29.39 8.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.773 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 48.92 45.86 22.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.567 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.2 mtp -37.91 125.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -135.51 83.56 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 108.002 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -108.86 -148.45 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 108.005 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mt -113.05 -144.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -117.78 162.46 18.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -75.28 166.53 23.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.07 -61.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.46 130.38 0.41 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -52.6 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -159.52 103.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -83.67 -49.0 9.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -46.32 125.37 6.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 m -127.26 147.3 50.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.86 95.81 4.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -148.37 79.43 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 55.2 169.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 t 56.67 95.36 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.961 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 164.39 33.46 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.538 1.81 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.0 m -101.37 145.79 28.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -44.33 -45.45 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 5.3 mm-40 -59.51 -45.71 90.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.351 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.474 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 59.8 m -59.76 -37.18 78.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 46' ' ' ALA . 28.1 mt -77.41 -46.74 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -61.63 -39.85 92.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 31' ' ' GLU . 5.2 mm-40 -64.92 -28.17 69.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.258 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.606 HD23 ' CE ' ' A' ' 39' ' ' MET . 10.9 mt -74.81 -60.18 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.6 t -40.83 -38.73 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -55.22 -45.62 75.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.606 ' CE ' HD23 ' A' ' 36' ' ' LEU . 31.5 mtm -60.65 -36.09 77.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.514 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 127.54 53.66 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 15.2 m-85 -143.66 110.82 5.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 0.772 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 43' ' ' THR . 36.1 t0 -38.69 137.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.3 m -38.41 -63.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.392 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 45' ' ' VAL . 8.3 p -40.62 -54.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.56 ' N ' HG13 ' A' ' 44' ' ' VAL . 10.4 t -55.25 -41.63 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -63.46 -52.38 61.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' OE2' ' CG2' ' A' ' 43' ' ' THR . 4.6 mt-10 -60.33 -51.01 71.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.02 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -61.69 -47.28 86.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -51.44 -66.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.524 HD21 ' CG2' ' A' ' 57' ' ' VAL . 2.7 mt -40.09 -65.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -38.99 -46.87 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.02 HG23 ' O ' ' A' ' 48' ' ' ALA . 25.0 t -57.76 -72.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 27.4 m-85 -70.26 67.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.513 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.15 52.46 0.11 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 40.42 60.41 2.03 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.432 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.4 m-80 -120.91 104.89 10.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.524 ' CG2' HD21 ' A' ' 50' ' ' LEU . 21.3 t -48.53 -49.49 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' LEU . 1.5 tt0 -58.84 -68.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -39.93 -59.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -47.75 -62.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.498 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -48.75 -56.9 7.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -38.53 -33.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.295 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.466 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 1.8 m -95.99 -53.78 3.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 18.5 mt -48.51 -34.21 10.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.78 -56.51 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -40.79 -55.65 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.575 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -81.05 -37.16 29.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.616 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.41 68.97 1.4 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 70' ' ' SER . . . 61.9 110.14 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 69' ' ' GLY . 2.7 t 158.06 -23.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 0.798 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 mt 64.35 164.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.432 ' HG2' HD13 ' A' ' 75' ' ' LEU . 18.5 Cg_endo -74.98 126.84 10.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -10.15 21.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.55 1.816 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.78 100.39 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.61 ' CD1' ' CG1' ' A' ' 52' ' ' VAL . 2.6 pt? -134.16 -45.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.502 ' H ' HD23 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -153.52 161.24 42.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.1 -47.53 3.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.58 100.62 2.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.54 95.78 0.19 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.02 8.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.752 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.2 m -154.56 152.38 29.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.0 m 49.17 79.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -157.8 156.96 32.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.754 . . . . 0.0 110.052 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.6 p -171.71 166.56 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.55 172.68 26.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.99 158.92 15.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.735 . . . . 0.0 110.027 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -111.88 169.19 9.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.83 158.23 30.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -171.07 117.6 0.45 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 144.01 30.02 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.496 1.787 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 11' ' ' MET . 12.6 p80 -84.52 48.13 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.631 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' HIS . 67.0 mtp -36.23 148.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -118.96 112.11 19.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.006 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -60.39 -59.43 5.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.0 mt -147.22 112.91 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -55.54 -18.32 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -112.78 173.19 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -162.45 69.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.238 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.19 115.64 1.97 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -57.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.535 1.808 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -171.33 -60.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -164.38 -55.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -157.1 114.13 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 t -67.47 -43.66 80.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -52.38 120.01 5.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -113.64 176.25 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.4 71.5 9.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.3 p -179.52 126.94 0.24 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.4 Cg_endo -75.0 167.93 25.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 p -106.03 145.93 30.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.989 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -39.85 -42.82 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.3 tp10 -61.27 -67.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -39.97 -36.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.705 HD13 ' OE2' ' A' ' 47' ' ' GLU . 37.4 mt -76.08 -46.78 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLU . 8.2 m-20 -61.6 -42.89 99.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -61.36 -28.21 69.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.555 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.1 mt -73.51 -56.97 4.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.514 HG21 ' OG1' ' A' ' 43' ' ' THR . 82.2 t -43.85 -41.59 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.68 -46.78 50.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.571 ' CE ' ' HB2' ' A' ' 61' ' ' ALA . 41.1 mtm -60.06 -32.28 70.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.7 53.3 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 41.3 m-85 -139.67 118.48 12.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.776 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' THR . 54.3 m-20 -43.08 130.11 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.514 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -37.87 -54.51 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.521 HG23 ' H ' ' A' ' 45' ' ' VAL . 3.4 m -45.44 -57.15 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.521 ' H ' HG23 ' A' ' 44' ' ' VAL . 10.7 t -55.32 -38.52 48.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -62.3 -49.81 74.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.705 ' OE2' HD13 ' A' ' 33' ' ' ILE . 3.6 mt-10 -67.31 -44.33 79.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.002 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -64.73 -40.1 94.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.616 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -61.85 -66.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' GLY . 5.2 mt -41.14 -42.51 2.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -44.81 95.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.002 HG23 ' O ' ' A' ' 48' ' ' ALA . 49.0 t -56.38 -59.39 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 60' ' ' ALA . 17.8 m-85 -85.6 43.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 68.93 -59.03 0.53 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.459 1.099 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 163.8 41.73 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.1 m-80 -99.51 129.7 45.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.794 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.2 t -73.11 -45.34 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -62.92 -54.73 34.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -46.86 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.616 ' HB1' ' HB1' ' A' ' 49' ' ' ALA . . . -43.26 -61.88 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.571 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -46.89 -45.34 20.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.467 ' CG ' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -51.28 -48.43 62.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 1.5 m -75.26 -45.7 38.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 85.9 mt -56.96 -63.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.94 -59.72 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.72 -35.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.574 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' LEU . 15.8 m-70 -106.27 -171.41 1.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.3 39.85 2.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.63 -41.64 3.09 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.8 m -59.76 120.03 8.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.996 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.78 162.69 26.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 75' ' ' LEU . 18.3 Cg_endo -75.03 141.51 26.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 72' ' ' PRO . 18.3 Cg_endo -75.01 -23.31 13.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.045 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.63 89.21 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 72' ' ' PRO . 0.8 OUTLIER -116.46 -60.57 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -121.17 118.27 29.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.98 143.77 49.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.28 125.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 160.22 157.62 8.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.69 15.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 t 179.76 109.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.7 t -160.72 -58.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.033 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.05 167.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.984 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.73 170.18 17.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.99 -141.01 3.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m 62.33 157.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.779 . . . . 0.0 109.974 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 p -137.97 167.86 20.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.21 126.02 1.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -164.02 156.38 14.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 149.54 37.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.546 1.813 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 11' ' ' MET . 2.0 p80 -86.34 46.16 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.587 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.441 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 13.1 mtm -36.59 -44.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 11' ' ' MET . 25.0 m95 -152.54 -171.37 3.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 108.024 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 69.38 126.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 mt 47.45 94.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -179.75 126.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 170.64 170.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -130.92 -58.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t0 62.56 123.51 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.59 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 67.37 101.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -171.35 133.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -177.65 167.57 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 m -130.65 138.72 50.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.031 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.75 130.29 33.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.81 103.66 13.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.609 ' HB1' ' HE ' ' A' ' 51' ' ' ARG . . . 56.38 76.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.1 82.35 0.21 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.4 41.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.63 149.61 21.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -43.94 -51.23 7.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' ASN . 4.1 tt0 -52.83 -66.44 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.464 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 43.7 m -39.88 -38.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.403 HD13 ' CD ' ' A' ' 47' ' ' GLU . 35.6 mt -76.25 -45.35 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLU . 54.4 m-20 -61.34 -42.46 98.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.229 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -61.28 -30.63 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.527 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 8.8 mt -71.5 -59.42 2.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.479 HG21 ' OG1' ' A' ' 43' ' ' THR . 93.9 t -40.63 -45.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -43.73 -53.6 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.527 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 51.2 mtm -53.61 -34.36 58.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.22 56.87 0.21 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 32.8 m-85 -142.22 116.19 9.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -40.77 130.2 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.479 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -38.11 -54.87 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.9 t -45.56 -51.33 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 3.9 t -58.67 -41.5 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -62.03 -56.55 17.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' CD ' HD13 ' A' ' 33' ' ' ILE . 4.0 mt-10 -55.0 -53.96 49.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.013 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -59.87 -47.49 85.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -51.28 -66.96 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.0 mt -39.19 -63.58 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.609 ' HE ' ' HB1' ' A' ' 26' ' ' ALA . 7.8 mtp180 -41.16 -47.04 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.013 HG23 ' O ' ' A' ' 48' ' ' ALA . 23.2 t -56.56 -66.78 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 33.8 m-85 -76.74 69.16 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.48 53.87 0.13 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 40.32 57.39 2.65 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.452 ' C ' HD23 ' A' ' 50' ' ' LEU . 1.8 m-80 -116.91 129.24 55.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 27.0 t -70.17 -62.0 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.52 -59.47 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.42 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -45.67 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.563 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -39.46 -62.06 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.431 ' CB ' ' CE ' ' A' ' 39' ' ' MET . . . -46.29 -46.16 17.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -49.64 -48.2 49.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 20.7 m -74.78 -43.28 55.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 28.2 mt -56.58 -51.21 69.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -43.14 -48.3 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.14 -175.51 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.573 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 67.5 38.58 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.86 -55.96 4.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.01 -29.99 0.54 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.04 171.58 14.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 109.967 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.9 mt -71.42 152.9 94.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.46 ' HG3' HG21 ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.0 118.61 5.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -15.03 20.84 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 75' ' ' LEU . 3.3 t0 -132.25 33.29 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 74' ' ' ASP . 3.4 tt -38.11 -89.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -114.42 -20.8 10.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.07 120.05 30.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.23 83.79 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -126.46 -88.13 0.66 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 142.14 27.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.1 p -98.27 92.63 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.5 t -102.38 -58.98 1.78 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.147 . . . . 0.0 110.983 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.23 158.86 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 0.724 . . . . 0.0 110.036 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.59 108.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.967 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.04 113.27 0.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 t -105.3 -54.86 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 109.931 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -80.43 124.59 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.036 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.39 -145.99 14.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.489 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 13.7 m-80 -50.63 109.67 1.42 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.448 ' O ' ' CB ' ' A' ' 10' ' ' HIS . 18.4 Cg_endo -74.98 -26.78 10.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.489 ' CE1' ' O ' ' A' ' 8' ' ' ASN . 14.1 m80 83.84 -47.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.601 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 56.9 mtm 56.39 103.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 111.064 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.435 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 10.5 m95 -123.24 85.42 2.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 108.023 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.435 ' CD1' ' O ' ' A' ' 12' ' ' TRP . 20.3 p90 45.16 66.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 107.992 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 mt -131.51 77.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 40.53 92.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -147.44 138.63 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.04 61.17 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.522 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -85.64 179.06 2.0 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 18' ' ' ASP . 18.3 Cg_endo -75.01 -44.32 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.437 1.756 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 67.47 68.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 171.76 93.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 167.77 -51.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.1 m 43.58 61.17 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -135.39 151.04 50.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.501 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 17.4 mm-40 64.1 126.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 25' ' ' GLN . . . 72.71 175.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -41.19 154.24 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.04 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.867 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.4 Cg_endo -74.99 168.33 25.07 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.487 1.782 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 t -86.87 137.77 32.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.067 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -39.45 -43.63 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.9 tt0 -59.83 -66.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.0 m -41.96 -32.17 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.867 HD11 ' HG2' ' A' ' 28' ' ' PRO . 53.3 mt -80.81 -44.51 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLU . 89.3 m-20 -64.49 -40.79 96.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -63.86 -27.16 68.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.68 HD23 ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -74.76 -54.58 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.575 HG21 ' OG1' ' A' ' 43' ' ' THR . 84.4 t -47.99 -37.11 6.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -55.35 -41.22 72.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.68 ' CE ' HD23 ' A' ' 36' ' ' LEU . 41.6 mtm -65.86 -31.14 71.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.02 53.74 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.717 ' CG ' HD13 ' A' ' 64' ' ' LEU . 12.4 m-85 -141.38 118.54 11.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 0.78 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -43.46 130.56 5.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.575 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -38.0 -53.62 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.421 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.9 t -48.65 -49.51 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 16.6 t -59.48 -39.82 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.3 -58.62 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.581 ' CD ' HD13 ' A' ' 33' ' ' ILE . 3.9 mt-10 -51.98 -51.19 58.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.017 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -63.58 -51.47 65.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -46.68 -60.19 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.547 HD13 ' HB2' ' A' ' 28' ' ' PRO . 2.8 mt -46.37 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' LEU . 41.0 mtt180 -38.33 -41.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.017 HG23 ' O ' ' A' ' 48' ' ' ALA . 12.1 t -62.12 -74.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.619 ' HZ ' HG21 ' A' ' 63' ' ' THR . 21.3 m-85 -70.06 65.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 27.99 44.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 49.94 65.62 2.78 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -124.43 95.62 4.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.3 t -40.17 -40.2 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -70.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.74 -48.28 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.554 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -58.35 -57.43 12.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.46 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -54.76 -58.39 7.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.55 -42.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.619 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -71.52 -62.37 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.374 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.717 HD13 ' CG ' ' A' ' 41' ' ' PHE . 40.2 mt -49.49 -56.85 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.05 -66.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -41.4 -57.27 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.623 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' GLY . 28.6 m-70 -86.43 48.47 1.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.621 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.75 -75.94 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' HIS . . . 179.86 37.54 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.5 p -129.85 132.45 46.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mt -47.64 159.88 0.42 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.504 ' HG2' ' CD2' ' A' ' 75' ' ' LEU . 18.4 Cg_endo -74.98 138.96 23.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -74.97 -21.64 15.71 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -63.54 -80.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 76' ' ' GLN . 2.6 pp -60.04 -46.53 89.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.553 ' N ' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -98.71 88.3 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -55.42 -47.95 75.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.31 158.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -112.62 -148.38 10.48 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.23 7.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.811 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m 48.91 97.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.1 p -140.62 -58.06 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m 65.92 134.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.23 159.56 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.021 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.51 130.05 2.44 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.57 134.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 110.017 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.16 148.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.035 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.8 -143.94 10.87 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.522 1.139 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 63.7 93.65 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.437 0.728 . . . . 0.0 109.278 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.86 20.87 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.539 1.81 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -51.07 -43.03 60.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.562 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.4 mtp 60.62 148.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -144.86 -171.45 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 108.015 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 1.048 ' C ' HD22 ' A' ' 14' ' ' LEU . 6.4 t90 -118.11 70.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 107.972 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.048 HD22 ' C ' ' A' ' 13' ' ' TRP . 0.0 OUTLIER 28.69 -92.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 13' ' ' TRP . 2.4 mt-30 159.0 131.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.411 ' OD1' ' CZ2' ' A' ' 13' ' ' TRP . 4.0 p-10 170.9 91.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.44 76.62 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 58.87 157.93 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.25 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -152.22 -59.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -168.67 155.52 7.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -138.14 -55.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.6 165.19 13.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.028 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -107.93 55.26 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -77.99 160.07 28.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -98.68 69.3 1.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.5 p -162.92 132.06 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 160.62 39.9 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.95 151.5 24.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -40.23 -53.7 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' ASN . 17.0 tt0 -52.02 -66.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.15 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.5 m -39.42 -34.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.589 HG23 ' HB3' ' A' ' 46' ' ' ALA . 22.2 mt -81.32 -46.71 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' GLU . 61.1 m-20 -59.68 -39.86 85.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -65.5 -21.22 66.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.3 mt -82.23 -60.56 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.469 HG21 ' OG1' ' A' ' 43' ' ' THR . 69.9 t -40.31 -33.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -59.63 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.489 ' SD ' ' HB1' ' A' ' 61' ' ' ALA . 69.1 mtm -51.74 -28.68 15.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 116.62 55.92 0.32 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.13 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.774 ' CD2' HD13 ' A' ' 64' ' ' LEU . 15.4 m-85 -135.15 115.75 13.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 43' ' ' THR . 5.1 m-20 -39.95 129.79 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.469 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.1 m -37.15 -57.1 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.7 t -44.6 -52.36 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 8.6 t -57.47 -40.18 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.589 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -63.38 -53.7 48.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.07 -51.24 70.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.013 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -62.37 -49.0 77.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -48.12 -61.62 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.6 mt -44.62 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' LEU . 5.0 mtp180 -36.92 -43.85 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.013 HG23 ' O ' ' A' ' 48' ' ' ALA . 16.1 t -60.73 -75.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.806 ' HZ ' HG21 ' A' ' 63' ' ' THR . 24.3 m-85 -69.83 67.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.494 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.34 46.2 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 44.09 66.32 1.37 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' VAL . 1.9 m-20 -124.17 96.04 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 0.804 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' ASN . 43.8 t -40.01 -42.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -63.79 -72.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' GLN . 0.7 OUTLIER -39.02 -60.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.479 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -50.05 -64.65 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.489 ' HB1' ' SD ' ' A' ' 39' ' ' MET . . . -45.62 -57.06 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -50.47 13.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.806 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 1.4 m -58.0 -65.93 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.774 HD13 ' CD2' ' A' ' 41' ' ' PHE . 26.7 mt -40.87 -62.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' HIS . . . -48.3 -52.09 22.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' ALA . 6.5 t-80 -38.99 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.626 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 69' ' ' GLY . 92.6 m-70 -71.57 58.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.594 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.07 -59.76 0.39 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' HIS . . . 168.05 40.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.533 ' C ' HD23 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -135.01 159.71 40.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 0.71 . . . . 0.0 109.985 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.7 160.1 74.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.532 ' HG2' ' CD2' ' A' ' 75' ' ' LEU . 18.2 Cg_endo -75.02 128.86 11.8 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.479 1.779 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -74.99 -14.44 21.16 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.499 1.789 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.1 -63.04 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.76 ' C ' HD12 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -72.58 -44.15 62.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.719 ' N ' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -99.2 91.94 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.31 117.37 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.07 161.66 41.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.23 -145.44 4.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.137 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 59.37 5.19 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.4 m -104.66 80.35 1.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.9 t -98.73 153.19 18.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 110.958 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.93 94.96 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.765 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.13 87.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.05 -152.78 33.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -132.16 109.81 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.31 94.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.57 70.42 0.49 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -178.43 124.54 0.26 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 136.03 19.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.81 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -51.38 -39.61 57.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.657 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 34.7 mtp 56.11 164.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 16.0 m95 -99.81 -63.76 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 108.05 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 69.61 134.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 108.035 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.25 136.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -63.73 151.86 40.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -70.03 92.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -166.89 64.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -175.87 132.3 0.42 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ASN . 18.4 Cg_endo -74.97 -42.93 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 67.6 -70.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 19' ' ' PRO . 33.2 t-20 -86.19 100.02 11.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -122.74 92.52 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.4 m 41.05 81.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.79 126.95 7.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -127.03 147.84 50.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -173.51 91.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 p 60.16 158.23 0.11 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.969 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 171.94 17.34 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.6 m -102.85 144.59 30.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -40.42 -61.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASN . 13.7 mt-10 -39.67 -67.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.5 m -39.29 -39.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.81 HD13 ' CD ' ' A' ' 47' ' ' GLU . 56.2 mt -76.18 -46.24 34.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLU . 53.8 m-20 -59.65 -42.47 92.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -62.44 -36.48 82.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.706 HD23 ' CE ' ' A' ' 39' ' ' MET . 10.4 mt -69.37 -56.33 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.536 HG21 ' OG1' ' A' ' 43' ' ' THR . 70.1 t -45.4 -45.9 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -46.15 -53.75 9.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.706 ' CE ' HD23 ' A' ' 36' ' ' LEU . 57.5 mtm -52.19 -34.75 46.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.577 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 122.62 59.57 0.2 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 14.7 m-85 -143.51 120.37 11.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.783 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' THR . 10.0 m-20 -42.5 127.01 3.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.536 ' OG1' HG21 ' A' ' 37' ' ' VAL . 0.9 OUTLIER -36.41 -56.46 0.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.172 . . . . 0.0 110.397 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -44.69 -51.7 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.852 ' CG1' HD21 ' A' ' 64' ' ' LEU . 4.9 t -59.1 -41.34 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.04 -52.29 64.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.81 ' CD ' HD13 ' A' ' 33' ' ' ILE . 3.8 mt-10 -62.14 -47.73 83.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.806 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -63.0 -43.16 99.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -56.67 -61.08 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.451 ' CD1' HG13 ' A' ' 33' ' ' ILE . 6.6 mt -45.39 -37.62 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.0 mtt-85 -73.04 -34.39 66.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 48' ' ' ALA . 76.9 t -58.94 -59.56 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 59' ' ' LEU . 61.2 m-85 -77.35 -65.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.562 ' O ' ' ND2' ' A' ' 56' ' ' ASN . . . 146.65 65.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.02 19.55 11.58 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.61 ' OD1' HD22 ' A' ' 59' ' ' LEU . 1.5 m-80 -88.54 81.9 7.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' ASN . 23.7 t -38.97 -60.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -45.65 -66.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.61 HD22 ' OD1' ' A' ' 56' ' ' ASN . 7.0 mp -37.4 -57.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.571 ' HA ' ' CE1' ' A' ' 53' ' ' PHE . . . -55.77 -62.45 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 65' ' ' ALA . . . -44.2 -53.42 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -39.5 10.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.6 m -83.92 -61.29 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.421 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.852 HD21 ' CG1' ' A' ' 45' ' ' VAL . 24.6 mt -47.2 -26.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 61' ' ' ALA . . . -72.27 -71.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -43.5 -54.72 4.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.578 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -59.95 3.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.597 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 97.69 58.75 0.98 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 70' ' ' SER . . . 66.84 107.53 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 69' ' ' GLY . 2.7 t 155.81 -22.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.765 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt 60.68 158.14 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.538 ' HG2' HD22 ' A' ' 75' ' ' LEU . 18.4 Cg_endo -74.99 156.35 43.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 111.025 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.31 20.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -172.96 117.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.734 HD21 ' CG1' ' A' ' 52' ' ' VAL . 2.4 pt? -140.43 -47.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.578 ' H ' HD23 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -143.71 170.8 15.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -38.36 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 76' ' ' GLN . 12.1 m -51.79 170.81 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.977 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -173.22 65.84 0.12 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.87 4.47 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.437 1.756 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.51 119.84 7.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.958 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.6 m -47.16 142.65 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.26 127.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -141.15 147.06 37.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.973 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.13 103.03 0.37 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.15 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 p -174.14 133.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.987 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -122.56 145.2 48.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.49 161.3 11.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -94.83 111.68 55.27 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -26.13 11.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 46.22 46.07 13.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.618 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 35.2 mtt -37.78 153.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.522 ' O ' ' CE3' ' A' ' 12' ' ' TRP . 59.1 p-90 -91.51 75.61 5.9 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.435 ' CD1' ' C ' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -78.9 -50.4 11.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.746 HD13 ' HB3' ' A' ' 18' ' ' ASP . 5.7 mt -139.6 -166.76 2.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -101.76 94.15 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 40.71 69.98 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 48.31 93.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.746 ' HB3' HD13 ' A' ' 14' ' ' LEU . 25.0 p-10 -41.31 101.34 0.24 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.67 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.69 -50.81 5.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.41 96.8 5.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -46.86 155.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.44 172.48 12.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -46.31 114.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.506 ' C ' ' O ' ' A' ' 24' ' ' ARG . 9.0 pt20 30.19 89.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.62 169.21 16.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.21 158.14 0.6 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 142.08 27.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.25 141.28 50.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -39.07 -58.78 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 34' ' ' ASN . 2.3 mt-10 -41.36 -64.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.4 m -41.95 -30.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.556 HG23 ' HB3' ' A' ' 46' ' ' ALA . 25.3 mt -87.11 -43.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' GLU . 88.5 m-20 -61.94 -36.43 81.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -69.65 -27.88 65.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.602 HD23 ' CE ' ' A' ' 39' ' ' MET . 11.7 mt -77.52 -59.06 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.503 HG21 ' OG1' ' A' ' 43' ' ' THR . 66.4 t -41.96 -40.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.39 -50.07 70.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.602 ' CE ' HD23 ' A' ' 36' ' ' LEU . 34.3 mtm -55.06 -33.3 62.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.98 57.96 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 16.7 m-85 -145.66 115.29 7.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' THR . 10.2 m-20 -40.12 132.04 1.94 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.503 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -37.25 -57.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.6 t -44.28 -52.11 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.51 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 5.2 t -58.42 -41.02 80.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.556 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -63.4 -58.02 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -51.11 -53.42 34.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.0 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -62.54 -53.96 47.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 45' ' ' VAL . . . -41.73 -50.51 4.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.6 mt -60.85 -53.93 51.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.17 -22.64 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.0 HG23 ' O ' ' A' ' 48' ' ' ALA . 4.9 t -82.21 -73.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.531 ' O ' ' C ' ' A' ' 54' ' ' GLY . 19.7 m-85 -72.19 67.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.531 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 25.58 58.53 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 36.06 55.64 1.15 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 53' ' ' PHE . 40.7 m-20 -114.13 92.04 3.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.6 t -39.75 -47.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.86 -66.25 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.16 -57.27 3.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.526 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -50.96 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.441 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -44.24 -53.85 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -46.42 -37.6 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.526 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 19.1 m -85.05 -62.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 84.2 mt -45.62 -28.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.38 -57.32 3.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.624 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -45.06 -57.77 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.639 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.41 -12.29 3.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.47 35.56 0.99 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -119.63 -3.41 10.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.736 . . . . 0.0 110.008 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 7.7 mt 61.71 150.28 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.407 ' HG2' HD12 ' A' ' 75' ' ' LEU . 18.3 Cg_endo -75.05 119.71 5.75 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -14.01 21.17 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.55 1.816 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 75' ' ' LEU . 0.8 OUTLIER -132.76 33.47 3.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 74' ' ' ASP . 4.6 tt -37.67 -88.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.1 86.78 2.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 178.15 135.48 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.35 105.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 145.24 -83.38 0.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 91.44 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 t -174.34 123.86 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.67 -57.71 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.486 1.116 . . . . 0.0 110.959 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.441 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.859 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 m -110.93 141.85 43.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -38.58 -58.65 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -48.97 -57.44 6.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.465 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 69.5 m -46.75 -36.36 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.455 HG23 ' HB3' ' A' ' 46' ' ' ALA . 36.4 mt -78.94 -43.49 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -61.69 -43.08 99.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -61.46 -27.39 68.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.601 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 9.7 mt -75.02 -53.35 9.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.528 HG21 ' OG1' ' A' ' 43' ' ' THR . 94.8 t -46.99 -38.38 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.77 -51.02 67.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.601 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 36.6 mtm -54.59 -33.84 61.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 122.08 57.53 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.59 1.181 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 64' ' ' LEU . 25.1 m-85 -145.05 116.7 8.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -42.96 130.62 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.528 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -37.62 -56.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.3 t -45.17 -49.1 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 42' ' ' ASP . 20.7 t -62.31 -39.65 84.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.455 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -62.19 -50.55 71.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' CD ' HD13 ' A' ' 33' ' ' ILE . 3.9 mt-10 -64.22 -41.32 97.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.968 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -68.37 -38.12 81.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -61.69 -63.54 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' GLY . 5.0 mt -43.11 -41.14 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -64.42 -41.98 96.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.968 HG23 ' O ' ' A' ' 48' ' ' ALA . 49.0 t -58.06 -57.97 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 60' ' ' ALA . 22.2 m-85 -87.07 40.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 70.64 -57.85 0.94 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 161.62 42.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.413 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.3 m120 -104.37 115.3 30.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 6.8 t -56.86 -40.82 73.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -68.25 -64.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -39.26 -44.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HA ' ' CE1' ' A' ' 53' ' ' PHE . . . -61.61 -59.61 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.583 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -53.94 -54.89 32.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -38.0 -32.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 61' ' ' ALA . 25.9 m -99.29 -51.82 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 12.3 mt -49.99 -38.06 35.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.267 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.81 146.71 24.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.96 -58.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.8 tt0 -44.53 -66.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.461 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 14.8 m -39.05 -39.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.729 HD13 ' CD ' ' A' ' 47' ' ' GLU . 44.2 mt -75.64 -46.54 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLU . 7.2 m-80 -59.33 -43.41 92.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -61.63 -28.65 69.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.605 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 11.5 mt -75.93 -55.88 5.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.497 HG21 ' OG1' ' A' ' 43' ' ' THR . 76.5 t -44.78 -36.58 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -57.1 -50.9 71.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.605 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 36.3 mtm -53.8 -33.6 56.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.43 59.04 0.22 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.571 1.169 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 18.8 m-85 -146.63 119.77 8.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' THR . 71.4 m-20 -43.45 131.89 4.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.497 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -38.12 -55.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.1 t -45.79 -50.54 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 4.3 t -59.66 -41.43 85.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.62 -54.88 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.729 ' CD ' HD13 ' A' ' 33' ' ' ILE . 2.5 mt-10 -57.29 -50.76 71.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.024 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -62.49 -49.08 76.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -48.87 -63.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.2 mt -43.01 -64.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -39.88 -45.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.024 HG23 ' O ' ' A' ' 48' ' ' ALA . 19.7 t -57.93 -71.25 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.587 ' HZ ' HG21 ' A' ' 63' ' ' THR . 30.1 m-85 -72.43 67.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.11 49.18 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 46.32 59.16 5.38 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 53' ' ' PHE . 16.9 m-20 -119.59 111.82 18.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.47 ' CG2' HD21 ' A' ' 50' ' ' LEU . 37.1 t -56.93 -53.19 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -54.96 -60.36 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -45.45 -60.17 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.0 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -44.61 -55.83 4.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.0 -31.19 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.587 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 1.2 m -91.72 -50.97 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 60.9 mt -55.23 -53.06 60.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.598 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.871 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.07 165.08 26.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -57.46 9.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.2 tt0 -49.73 -68.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' GLU . 36.0 p -36.71 -51.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.5 mt -64.4 -47.2 90.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' GLU . 23.2 m-20 -58.08 -46.79 84.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -58.65 -31.0 67.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.472 HD23 ' HE1' ' A' ' 39' ' ' MET . 12.6 mt -69.97 -58.42 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' GLY . 77.0 t -42.32 -45.94 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.91 -60.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.472 ' HE1' HD23 ' A' ' 36' ' ' LEU . 72.7 mtm -47.42 -34.67 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 37' ' ' VAL . . . 121.83 56.62 0.21 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.944 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 41.8 m-85 -140.02 114.32 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' THR . 5.6 m-20 -39.62 131.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -37.18 -59.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.419 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.1 t -40.66 -53.1 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.58 -43.52 83.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -60.49 -50.84 71.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.74 -40.18 96.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.996 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -69.14 -37.36 78.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -61.98 -63.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.598 HD13 ' CB ' ' A' ' 28' ' ' PRO . 3.9 mt -43.28 -41.35 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.0 mtt85 -64.12 -41.88 97.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 48' ' ' ALA . 46.9 t -58.42 -58.75 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 60' ' ' ALA . 22.0 m-85 -86.4 42.71 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 70.08 -58.47 0.8 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 163.21 41.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -102.93 132.88 48.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.9 t -73.85 -44.94 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -63.68 -54.93 27.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.53 -49.67 55.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.56 ' HA ' ' CE1' ' A' ' 53' ' ' PHE . . . -60.26 -60.19 4.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.11 -53.68 19.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.68 -46.09 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.6 m -80.38 -55.7 4.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.399 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 36.6 mt -44.55 -42.06 6.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.01 146.17 27.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -38.91 -59.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' ASN . 49.1 mt-10 -45.86 -65.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.418 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 48.7 m -39.53 -34.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.963 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.522 HG23 ' HB3' ' A' ' 46' ' ' ALA . 27.7 mt -81.29 -46.08 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' GLU . 70.4 m-20 -59.9 -39.79 86.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -65.52 -27.54 68.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.604 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 11.7 mt -76.26 -53.55 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.456 HG21 ' OG1' ' A' ' 43' ' ' THR . 76.8 t -43.52 -38.81 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.85 -60.54 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.604 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 40.5 mtm -44.63 -34.44 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.563 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.22 61.2 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 26.1 m-85 -148.0 115.28 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.793 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' THR . 11.7 m-20 -40.95 132.01 2.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.456 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -37.54 -55.16 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 110.452 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -46.59 -51.63 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.503 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 5.2 t -58.17 -40.75 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.522 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -62.44 -57.76 10.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.4 ' CD ' HD13 ' A' ' 33' ' ' ILE . 7.2 mt-10 -54.4 -52.98 60.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.03 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -60.27 -48.65 80.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 45' ' ' VAL . . . -49.4 -65.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.0 mt -41.2 -66.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -38.16 -46.68 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.03 HG23 ' O ' ' A' ' 48' ' ' ALA . 21.5 t -57.6 -73.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.68 ' HZ ' HG21 ' A' ' 63' ' ' THR . 29.8 m-85 -69.73 64.72 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 29.56 51.2 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 39.52 69.64 0.41 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -131.25 101.93 5.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 41.6 t -43.85 -42.92 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' LEU . 1.3 tt0 -63.45 -71.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' GLN . 0.4 OUTLIER -40.11 -54.57 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.551 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -53.36 -61.32 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.65 -57.93 6.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -39.17 -34.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.68 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 2.5 m -91.13 -54.98 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.387 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.571 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 23.5 mt -48.44 -34.31 10.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.474 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -125.24 151.13 46.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' A' ' 34' ' ' ASN . 1.1 tp60 -39.36 -41.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.491 ' CB ' ' OE1' ' A' ' 35' ' ' GLN . 4.5 mt-10 -55.86 -78.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 31' ' ' GLU . 6.0 m -36.51 -50.28 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.043 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.9 mt -58.43 -51.02 76.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLU . 93.1 m-20 -60.98 -47.12 87.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.491 ' OE1' ' CB ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -57.84 -28.5 64.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.627 HD23 ' CE ' ' A' ' 39' ' ' MET . 10.2 mt -73.21 -54.14 9.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.465 HG21 ' OG1' ' A' ' 43' ' ' THR . 69.5 t -46.28 -42.1 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.08 -50.62 35.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.627 ' CE ' HD23 ' A' ' 36' ' ' LEU . 56.5 mtm -57.34 -32.86 67.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.509 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 122.36 54.91 0.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 12.4 m-85 -140.92 112.5 7.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' THR . 1.0 OUTLIER -40.09 131.15 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.465 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -36.42 -56.57 0.79 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.422 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.4 t -45.18 -51.95 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 7.2 t -58.68 -39.93 77.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.31 -52.5 61.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.57 -51.0 71.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.03 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -62.36 -49.09 76.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -49.41 -67.29 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.474 HD13 ' CB ' ' A' ' 28' ' ' PRO . 2.5 mt -40.25 -67.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -36.95 -46.31 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.03 HG23 ' O ' ' A' ' 48' ' ' ALA . 22.9 t -58.95 -75.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.612 ' HZ ' HG21 ' A' ' 63' ' ' THR . 24.4 m-85 -68.16 64.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.05 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 29.21 48.22 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 43.79 68.67 0.8 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -130.8 100.02 5.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.429 ' CG2' ' OG ' ' A' ' 32' ' ' SER . 79.2 t -41.83 -44.19 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -62.27 -71.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' GLN . 0.6 OUTLIER -40.2 -48.52 2.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.509 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -58.36 -59.76 4.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 63' ' ' THR . . . -52.67 -56.85 12.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.3 -27.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.612 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 49.0 m -96.07 -48.16 5.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 18.9 mt -58.68 -51.87 68.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.575 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.895 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m -124.1 152.98 42.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -46.35 -38.56 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.445 ' OE1' ' NE2' ' A' ' 35' ' ' GLN . 7.3 tp10 -63.81 -69.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.458 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 26.5 m -40.54 -33.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.863 HD13 ' CD ' ' A' ' 47' ' ' GLU . 58.5 mt -80.74 -45.97 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' GLU . 89.4 m-20 -61.44 -40.67 95.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.445 ' NE2' ' OE1' ' A' ' 31' ' ' GLU . 18.2 mm-40 -64.27 -26.5 68.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.673 HD23 ' CE ' ' A' ' 39' ' ' MET . 10.0 mt -75.99 -58.36 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.514 HG21 ' OG1' ' A' ' 43' ' ' THR . 78.9 t -43.74 -45.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.8 -50.3 10.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.673 ' CE ' HD23 ' A' ' 36' ' ' LEU . 59.5 mtm -57.49 -40.4 78.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.549 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 131.21 56.68 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.57 ' CG ' HD13 ' A' ' 64' ' ' LEU . 12.5 m-85 -143.04 114.91 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' VAL . 2.1 m-20 -40.84 131.36 2.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.514 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -37.71 -54.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.0 t -46.81 -50.62 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 6.2 t -59.25 -41.99 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -62.39 -56.85 14.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.863 ' CD ' HD13 ' A' ' 33' ' ' ILE . 6.3 mt-10 -59.14 -50.81 72.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.342 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.478 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -59.34 -50.02 75.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -48.44 -55.23 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.575 HD13 ' CB ' ' A' ' 28' ' ' PRO . 4.4 mt -51.92 -24.28 6.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -83.01 -26.26 31.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 48' ' ' ALA . 20.1 t -78.92 -47.27 23.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.57 ' HZ ' HG21 ' A' ' 63' ' ' THR . 44.3 m-85 -95.73 41.69 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 68.63 -58.92 0.48 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 163.71 41.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -105.76 118.5 36.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 13.9 t -61.24 -42.75 94.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -62.33 -63.14 1.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -40.61 -50.96 3.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.551 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -54.81 -59.56 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 63' ' ' THR . . . -53.71 -58.26 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.03 -31.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.57 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 3.1 m -88.65 -54.33 4.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.396 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.57 HD13 ' CG ' ' A' ' 41' ' ' PHE . 34.2 mt -54.23 -53.44 53.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.631 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.34 147.11 42.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.87 -33.93 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' ASN . 23.2 mt-10 -65.31 -71.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.412 ' OG ' ' CG2' ' A' ' 57' ' ' VAL . 2.4 m -40.72 -35.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.406 HG13 ' CD1' ' A' ' 50' ' ' LEU . 44.0 mt -75.54 -46.45 37.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' GLU . 57.3 m-20 -63.49 -42.9 98.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -61.76 -28.66 69.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.7 HD23 ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -74.47 -54.28 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.532 HG21 ' OG1' ' A' ' 43' ' ' THR . 79.1 t -46.32 -37.57 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -57.63 -54.9 41.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.7 ' CE ' HD23 ' A' ' 36' ' ' LEU . 32.9 mtm -50.31 -36.89 33.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 125.82 57.92 0.16 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.608 ' CG ' HD13 ' A' ' 64' ' ' LEU . 26.7 m-85 -146.98 113.22 5.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 0.765 . . . . 0.0 111.043 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' PHE . 5.3 m-20 -40.61 134.43 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.532 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -40.16 -59.06 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.421 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.5 t -41.46 -51.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 4.6 t -60.31 -41.7 88.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -62.45 -55.09 30.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.496 ' OE2' ' CG2' ' A' ' 43' ' ' THR . 4.1 mt-10 -59.57 -50.69 72.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -60.3 -48.99 79.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -50.17 -55.37 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.631 HD13 ' CB ' ' A' ' 28' ' ' PRO . 6.1 mt -52.8 -21.58 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.68 -24.61 25.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 48' ' ' ALA . 16.3 t -80.13 -42.99 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 32.2 m-85 -102.37 44.07 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 68.16 -60.44 0.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 165.93 41.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.424 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.6 m120 -105.52 124.98 50.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.49 HG13 ' CD2' ' A' ' 36' ' ' LEU . 81.0 t -67.15 -43.31 88.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -58.28 6.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -45.0 -39.23 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -70.27 -62.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.604 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -48.02 -46.77 33.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.69 -39.82 25.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.479 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 1.8 m -78.96 -47.92 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.608 HD13 ' CG ' ' A' ' 41' ' ' PHE . 41.3 mt -57.91 -60.87 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.525 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.899 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.58 145.51 27.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.94 -43.78 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.502 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 16.5 tt0 -60.13 -46.03 91.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.3 m -60.08 -35.89 76.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 46' ' ' ALA . 27.9 mt -78.34 -44.62 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -64.38 -38.68 91.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 31' ' ' GLU . 5.7 mm-40 -66.56 -26.43 67.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.667 HD23 ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -76.14 -56.8 4.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 41' ' ' PHE . 73.2 t -47.0 -37.04 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.39 -47.9 56.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.667 ' CE ' HD23 ' A' ' 36' ' ' LEU . 67.2 mtm -61.79 -35.19 77.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 127.79 53.8 0.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 13.2 m-85 -138.33 111.04 7.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' VAL . 9.3 m-20 -39.09 131.54 1.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.476 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.1 m -36.45 -54.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.2 t -48.76 -49.93 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 10.8 t -59.16 -40.79 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.497 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -63.07 -57.53 10.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.431 ' CD ' HD13 ' A' ' 33' ' ' ILE . 3.8 mt-10 -54.65 -51.63 64.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.02 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -61.69 -51.02 70.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -47.05 -62.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.525 HD13 ' CB ' ' A' ' 28' ' ' PRO . 3.0 mt -44.4 -66.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' LEU . 35.9 mtt180 -38.26 -44.0 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.02 HG23 ' O ' ' A' ' 48' ' ' ALA . 16.7 t -59.63 -74.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 26.0 m-85 -69.45 65.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.72 44.16 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 53.76 59.37 9.89 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' PHE . 2.0 m120 -119.28 97.53 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.417 ' CG2' HD21 ' A' ' 50' ' ' LEU . 37.6 t -40.53 -44.43 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -63.41 -73.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.489 HD22 ' CD ' ' A' ' 62' ' ' GLN . 0.5 OUTLIER -41.06 -28.94 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.557 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -75.63 -51.03 13.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 58' ' ' GLN . . . -69.82 -51.89 29.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.511 ' CG ' ' N ' ' A' ' 63' ' ' THR . 6.3 pt20 -37.58 -47.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.345 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.511 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 1.1 m -77.54 -53.91 7.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.581 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 77.4 mt -48.59 -58.02 5.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.425 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.907 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.63 172.61 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.81 -46.69 87.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' ASN . 0.8 OUTLIER -52.86 -76.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.452 ' CB ' ' CG2' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -36.2 -59.38 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.428 HD13 ' CD ' ' A' ' 47' ' ' GLU . 14.5 mt -52.29 -47.47 45.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' GLU . 12.1 m-20 -61.87 -52.6 63.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -52.35 -28.63 20.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.524 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.1 mt -72.57 -57.52 4.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.4 t -41.62 -44.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.97 -55.54 5.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.524 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 49.1 mtm -51.83 -33.31 35.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.13 54.88 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 64' ' ' LEU . 44.0 m-85 -140.32 112.81 7.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.773 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' PHE . 3.9 m-20 -39.6 132.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -38.1 -58.66 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.4 t -42.4 -51.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 10.8 t -59.5 -39.84 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -64.7 -49.48 70.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.428 ' CD ' HD13 ' A' ' 33' ' ' ILE . 4.0 mt-10 -62.05 -48.99 77.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.015 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -64.79 -47.17 79.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -51.03 -64.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.8 mt -42.34 -63.48 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -40.05 -44.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.312 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.015 HG23 ' O ' ' A' ' 48' ' ' ALA . 22.6 t -59.26 -73.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.174 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.543 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 25.2 m-85 -69.77 67.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 27.51 52.25 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 42.18 57.24 3.7 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' PHE . 2.5 m120 -117.22 105.49 12.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.452 ' CG2' ' CB ' ' A' ' 32' ' ' SER . 23.5 t -49.61 -52.09 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -56.27 -68.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.5 OUTLIER -39.47 -60.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.543 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -47.57 -64.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -47.03 -58.11 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -38.33 -32.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' ALA . 5.5 m -95.46 -51.84 4.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 13.1 mt -50.57 -36.01 32.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.495 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.828 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.49 151.89 30.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.1 -40.06 22.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' ASN . 2.7 tp10 -61.24 -68.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.431 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 63.8 m -40.94 -34.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 37' ' ' VAL . 41.3 mt -77.31 -45.97 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' GLU . 43.7 m-20 -63.4 -42.03 98.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -62.57 -30.24 71.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.705 HD23 ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -72.46 -57.96 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.5 HG21 ' OG1' ' A' ' 43' ' ' THR . 85.9 t -43.88 -42.74 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.62 -49.31 27.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.705 ' CE ' HD23 ' A' ' 36' ' ' LEU . 55.2 mtm -57.91 -35.66 71.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.524 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 125.53 55.54 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 12.4 m-85 -141.59 114.57 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 0.786 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 43' ' ' THR . 5.8 m-20 -40.4 130.28 2.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.5 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.1 m -36.75 -56.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.3 t -45.27 -51.95 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.525 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 4.8 t -57.92 -41.19 79.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.86 -58.88 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -50.71 -54.19 25.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.767 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -61.58 -55.72 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -39.98 -47.62 2.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.495 HD13 ' CB ' ' A' ' 28' ' ' PRO . 3.5 mt -60.77 -51.47 69.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -52.75 -24.98 9.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 48' ' ' ALA . 3.8 t -80.75 -73.89 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.693 ' HZ ' HG21 ' A' ' 63' ' ' THR . 17.6 m-85 -73.2 67.99 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.569 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 21.45 60.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 37.71 60.62 1.2 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 53' ' ' PHE . 2.4 m120 -118.82 92.71 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 39.5 t -39.86 -49.29 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.81 -67.79 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.43 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -43.43 -43.97 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.556 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -59.49 -58.45 8.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -53.43 -59.07 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -38.27 -30.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.693 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 3.2 m -93.97 -57.41 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.399 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 73.3 mt -48.04 -42.03 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.852 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.78 153.66 22.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.75 -37.57 6.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -62.94 -70.81 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.464 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 12.7 m -39.69 -40.7 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.2 mt -71.24 -46.55 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLU . 13.9 m-20 -62.27 -44.72 95.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -60.57 -28.86 68.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.256 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' CD2' ' HE1' ' A' ' 39' ' ' MET . 12.2 mt -74.38 -57.06 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' LEU . 53.7 t -40.07 -45.02 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.33 -64.93 0.63 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.664 ' HE1' ' HB2' ' A' ' 61' ' ' ALA . 2.1 mtp -42.28 -34.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.602 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.39 71.7 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 55.6 m-85 -158.57 113.72 2.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' THR . 9.3 m-20 -39.94 131.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -36.32 -60.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -41.45 -54.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 5.9 t -56.95 -40.13 70.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -63.62 -51.78 63.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.73 -50.62 72.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.023 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -62.3 -47.69 83.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.138 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -50.01 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.1 mt -41.88 -64.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.234 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -38.75 -44.31 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.023 HG23 ' O ' ' A' ' 48' ' ' ALA . 21.8 t -60.89 -75.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 22.1 m-85 -68.12 67.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 27.99 54.97 0.12 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 38.19 59.96 1.41 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.429 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 2.4 m120 -121.28 110.13 15.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 61.4 t -52.64 -57.18 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -51.33 -67.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.248 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.429 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -39.73 -71.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.575 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -41.33 -60.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.664 ' HB2' ' HE1' ' A' ' 39' ' ' MET . . . -48.09 -45.87 33.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 63' ' ' THR . 0.4 OUTLIER -47.84 -48.38 30.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 2.2 m -80.15 -44.14 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.444 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 12.0 mt -56.28 -29.93 61.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 61' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.598 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.921 0 N-CA-C 111.049 -0.404 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 p -98.05 139.86 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' ILE . 1.1 tp60 -38.45 -65.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 18.1 mt-10 -40.62 -44.78 2.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.25 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 m -60.2 -45.44 93.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.938 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.598 HD11 ' HG2' ' A' ' 28' ' ' PRO . 20.3 mt -70.33 -46.67 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -60.91 -41.7 96.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 31' ' ' GLU . 5.8 mm-40 -63.68 -26.77 68.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 11.3 mt -74.89 -58.27 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.437 HG21 ' OG1' ' A' ' 43' ' ' THR . 77.8 t -41.18 -43.36 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.59 -59.2 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.526 ' CE ' ' HB2' ' A' ' 61' ' ' ALA . 69.6 mtm -49.4 -32.7 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.95 58.16 0.25 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 33.0 m-85 -141.24 115.47 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 43' ' ' THR . 86.4 m-20 -40.28 130.0 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 1.1 m -36.7 -55.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.475 HG23 ' H ' ' A' ' 45' ' ' VAL . 2.9 m -44.88 -55.73 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.475 ' H ' HG23 ' A' ' 44' ' ' VAL . 6.3 t -55.72 -39.71 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -62.25 -51.18 68.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.418 ' CD ' HD13 ' A' ' 33' ' ' ILE . 4.0 mt-10 -65.17 -43.53 91.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.003 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -65.73 -40.15 91.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -59.48 -66.35 0.53 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' GLY . 2.5 mt -41.67 -43.97 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -60.84 -44.23 97.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.003 HG23 ' O ' ' A' ' 48' ' ' ALA . 42.3 t -57.09 -57.5 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 20.4 m-85 -87.61 40.56 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 69.68 -58.51 0.71 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.66 42.11 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.412 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.4 m120 -101.55 112.25 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 t -54.94 -40.7 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -68.01 -65.5 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.5 OUTLIER -39.67 -46.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.563 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -59.94 -61.57 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.526 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -51.11 -54.95 20.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.92 -34.63 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.469 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 13.3 m -90.11 -56.3 3.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 82.2 mt -47.21 -48.13 24.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.643 ' HB2' HD13 ' A' ' 50' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' GLN . 4.6 m -89.54 140.34 29.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.045 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 29' ' ' SER . 2.3 tp60 -38.56 -52.35 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' ASN . 9.0 mt-10 -50.16 -65.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 m -40.62 -29.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.819 HD13 ' CD ' ' A' ' 47' ' ' GLU . 32.0 mt -87.52 -45.08 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' GLU . 72.7 m-20 -61.61 -36.76 81.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -68.75 -26.18 65.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.23 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.557 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.4 mt -75.78 -52.64 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.538 HG21 ' OG1' ' A' ' 43' ' ' THR . 73.6 t -47.56 -39.48 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -52.16 -46.77 65.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.594 ' CE ' ' HB2' ' A' ' 61' ' ' ALA . 44.8 mtm -60.42 -32.61 71.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.23 54.08 0.23 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 36.3 m-85 -140.21 116.77 10.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.747 ' OD1' HG23 ' A' ' 44' ' ' VAL . 2.1 t0 -40.4 132.54 2.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.538 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.1 m -40.94 -40.64 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.747 HG23 ' OD1' ' A' ' 42' ' ' ASP . 2.8 t -62.08 -47.02 95.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.522 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 13.1 t -59.73 -35.46 60.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.592 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -69.32 -61.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.819 ' CD ' HD13 ' A' ' 33' ' ' ILE . 3.3 mt-10 -50.9 -51.32 53.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -59.51 -50.63 73.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 45' ' ' VAL . . . -48.04 -52.91 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.643 HD13 ' HB2' ' A' ' 28' ' ' PRO . 5.7 mt -56.42 -24.31 44.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -81.91 -24.52 35.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 48' ' ' ALA . 15.5 t -78.53 -55.53 9.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 18.7 m-85 -90.4 44.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 67.97 -59.11 0.37 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 164.25 42.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.4 m120 -103.86 120.13 40.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.7 t -62.79 -41.38 92.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -61.61 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.408 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -42.35 -38.82 1.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -69.64 -62.65 1.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -48.73 -41.48 32.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -38.28 66.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.448 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 18.0 m -86.3 -49.12 7.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.469 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 33.9 mt -58.87 -18.14 30.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 61' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.0 m -101.37 145.79 28.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.33 -45.45 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 5.3 mm-40 -59.51 -45.71 90.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.351 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.474 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 59.8 m -59.76 -37.18 78.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 46' ' ' ALA . 28.1 mt -77.41 -46.74 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -61.63 -39.85 92.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 31' ' ' GLU . 5.2 mm-40 -64.92 -28.17 69.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.258 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.606 HD23 ' CE ' ' A' ' 39' ' ' MET . 10.9 mt -74.81 -60.18 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.6 t -40.83 -38.73 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -55.22 -45.62 75.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.606 ' CE ' HD23 ' A' ' 36' ' ' LEU . 31.5 mtm -60.65 -36.09 77.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.514 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 127.54 53.66 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 15.2 m-85 -143.66 110.82 5.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 0.772 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 43' ' ' THR . 36.1 t0 -38.69 137.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.3 m -38.41 -63.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.392 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 45' ' ' VAL . 8.3 p -40.62 -54.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.56 ' N ' HG13 ' A' ' 44' ' ' VAL . 10.4 t -55.25 -41.63 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -63.46 -52.38 61.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' OE2' ' CG2' ' A' ' 43' ' ' THR . 4.6 mt-10 -60.33 -51.01 71.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.02 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -61.69 -47.28 86.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -51.44 -66.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.524 HD21 ' CG2' ' A' ' 57' ' ' VAL . 2.7 mt -40.09 -65.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -38.99 -46.87 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.02 HG23 ' O ' ' A' ' 48' ' ' ALA . 25.0 t -57.76 -72.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 27.4 m-85 -70.26 67.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.513 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.15 52.46 0.11 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 40.42 60.41 2.03 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.432 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 2.1 m120 -120.91 104.89 10.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.524 ' CG2' HD21 ' A' ' 50' ' ' LEU . 21.3 t -48.53 -49.49 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' LEU . 1.5 tt0 -58.84 -68.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -39.93 -59.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -47.75 -62.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.498 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -48.75 -56.9 7.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -38.53 -33.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.295 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.466 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 1.8 m -95.99 -53.78 3.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 18.5 mt -48.51 -34.21 10.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.814 0 N-CA-C 110.96 -0.438 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 p -106.03 145.93 30.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.989 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -39.85 -42.82 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.3 tp10 -61.27 -67.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -39.97 -36.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.705 HD13 ' OE2' ' A' ' 47' ' ' GLU . 37.4 mt -76.08 -46.78 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLU . 8.2 m-20 -61.6 -42.89 99.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -61.36 -28.21 69.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.555 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.1 mt -73.51 -56.97 4.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.514 HG21 ' OG1' ' A' ' 43' ' ' THR . 82.2 t -43.85 -41.59 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.68 -46.78 50.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.571 ' CE ' ' HB2' ' A' ' 61' ' ' ALA . 41.1 mtm -60.06 -32.28 70.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.7 53.3 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 41.3 m-85 -139.67 118.48 12.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.776 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' THR . 54.3 m-20 -43.08 130.11 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.514 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -37.87 -54.51 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.521 HG23 ' H ' ' A' ' 45' ' ' VAL . 3.4 m -45.44 -57.15 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.521 ' H ' HG23 ' A' ' 44' ' ' VAL . 10.7 t -55.32 -38.52 48.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -62.3 -49.81 74.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.705 ' OE2' HD13 ' A' ' 33' ' ' ILE . 3.6 mt-10 -67.31 -44.33 79.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.002 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -64.73 -40.1 94.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.616 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -61.85 -66.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' GLY . 5.2 mt -41.14 -42.51 2.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -44.81 95.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.002 HG23 ' O ' ' A' ' 48' ' ' ALA . 49.0 t -56.38 -59.39 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 60' ' ' ALA . 17.8 m-85 -85.6 43.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 68.93 -59.03 0.53 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.459 1.099 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 163.8 41.73 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.7 m120 -99.51 129.7 45.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.794 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.2 t -73.11 -45.34 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -62.92 -54.73 34.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -46.86 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.616 ' HB1' ' HB1' ' A' ' 49' ' ' ALA . . . -43.26 -61.88 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.571 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -46.89 -45.34 20.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.467 ' CG ' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -51.28 -48.43 62.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 1.5 m -75.26 -45.7 38.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 85.9 mt -56.96 -63.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.92 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.63 149.61 21.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -43.94 -51.23 7.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' ASN . 4.1 tt0 -52.83 -66.44 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.464 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 43.7 m -39.88 -38.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.403 HD13 ' CD ' ' A' ' 47' ' ' GLU . 35.6 mt -76.25 -45.35 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLU . 54.4 m-20 -61.34 -42.46 98.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.229 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -61.28 -30.63 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.527 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 8.8 mt -71.5 -59.42 2.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.479 HG21 ' OG1' ' A' ' 43' ' ' THR . 93.9 t -40.63 -45.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -43.73 -53.6 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.527 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 51.2 mtm -53.61 -34.36 58.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.22 56.87 0.21 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 32.8 m-85 -142.22 116.19 9.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -40.77 130.2 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.479 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -38.11 -54.87 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.9 t -45.56 -51.33 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 3.9 t -58.67 -41.5 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.4 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -62.03 -56.55 17.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.403 ' CD ' HD13 ' A' ' 33' ' ' ILE . 4.0 mt-10 -55.0 -53.96 49.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.013 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -59.87 -47.49 85.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -51.28 -66.96 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.0 mt -39.19 -63.58 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -41.16 -47.04 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.013 HG23 ' O ' ' A' ' 48' ' ' ALA . 23.2 t -56.56 -66.78 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 33.8 m-85 -76.74 69.16 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.48 53.87 0.13 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 40.32 57.39 2.65 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.452 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.8 m120 -116.91 129.24 55.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 27.0 t -70.17 -62.0 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.52 -59.47 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.42 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -45.67 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.563 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -39.46 -62.06 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.431 ' CB ' ' CE ' ' A' ' 39' ' ' MET . . . -46.29 -46.16 17.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -49.64 -48.2 49.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 20.7 m -74.78 -43.28 55.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 28.2 mt -56.58 -51.21 69.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.867 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 t -86.87 137.77 32.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.067 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -39.45 -43.63 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.9 tt0 -59.83 -66.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.0 m -41.96 -32.17 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.867 HD11 ' HG2' ' A' ' 28' ' ' PRO . 53.3 mt -80.81 -44.51 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLU . 89.3 m-20 -64.49 -40.79 96.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -63.86 -27.16 68.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.68 HD23 ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -74.76 -54.58 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.575 HG21 ' OG1' ' A' ' 43' ' ' THR . 84.4 t -47.99 -37.11 6.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -55.35 -41.22 72.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.68 ' CE ' HD23 ' A' ' 36' ' ' LEU . 41.6 mtm -65.86 -31.14 71.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.02 53.74 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.717 ' CG ' HD13 ' A' ' 64' ' ' LEU . 12.4 m-85 -141.38 118.54 11.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 0.78 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -43.46 130.56 5.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.575 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -38.0 -53.62 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.421 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.9 t -48.65 -49.51 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 16.6 t -59.48 -39.82 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.3 -58.62 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.581 ' CD ' HD13 ' A' ' 33' ' ' ILE . 3.9 mt-10 -51.98 -51.19 58.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.017 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -63.58 -51.47 65.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -46.68 -60.19 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.547 HD13 ' HB2' ' A' ' 28' ' ' PRO . 2.8 mt -46.37 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' LEU . 41.0 mtt180 -38.33 -41.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.017 HG23 ' O ' ' A' ' 48' ' ' ALA . 12.1 t -62.12 -74.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.619 ' HZ ' HG21 ' A' ' 63' ' ' THR . 21.3 m-85 -70.06 65.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 27.99 44.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 49.94 65.62 2.78 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -124.43 95.62 4.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.3 t -40.17 -40.2 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -70.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.74 -48.28 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.554 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -58.35 -57.43 12.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.46 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -54.76 -58.39 7.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.55 -42.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.619 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -71.52 -62.37 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.374 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.717 HD13 ' CG ' ' A' ' 41' ' ' PHE . 40.2 mt -49.49 -56.85 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.95 151.5 24.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -40.23 -53.7 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' ASN . 17.0 tt0 -52.02 -66.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.15 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.5 m -39.42 -34.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.589 HG23 ' HB3' ' A' ' 46' ' ' ALA . 22.2 mt -81.32 -46.71 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' GLU . 61.1 m-20 -59.68 -39.86 85.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -65.5 -21.22 66.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.3 mt -82.23 -60.56 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.469 HG21 ' OG1' ' A' ' 43' ' ' THR . 69.9 t -40.31 -33.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -59.63 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.489 ' SD ' ' HB1' ' A' ' 61' ' ' ALA . 69.1 mtm -51.74 -28.68 15.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 116.62 55.92 0.32 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.13 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.774 ' CD2' HD13 ' A' ' 64' ' ' LEU . 15.4 m-85 -135.15 115.75 13.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 43' ' ' THR . 5.1 m-20 -39.95 129.79 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.469 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.1 m -37.15 -57.1 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.7 t -44.6 -52.36 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 8.6 t -57.47 -40.18 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.589 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -63.38 -53.7 48.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.07 -51.24 70.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.013 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -62.37 -49.0 77.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -48.12 -61.62 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.6 mt -44.62 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' LEU . 5.0 mtp180 -36.92 -43.85 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.013 HG23 ' O ' ' A' ' 48' ' ' ALA . 16.1 t -60.73 -75.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.806 ' HZ ' HG21 ' A' ' 63' ' ' THR . 24.3 m-85 -69.83 67.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.494 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.34 46.2 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 44.09 66.32 1.37 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' VAL . 1.9 m-20 -124.17 96.04 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 0.804 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' ASN . 43.8 t -40.01 -42.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -63.79 -72.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' GLN . 0.7 OUTLIER -39.02 -60.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.479 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -50.05 -64.65 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.489 ' HB1' ' SD ' ' A' ' 39' ' ' MET . . . -45.62 -57.06 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -50.47 13.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.806 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 1.4 m -58.0 -65.93 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.774 HD13 ' CD2' ' A' ' 41' ' ' PHE . 26.7 mt -40.87 -62.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.6 m -102.85 144.59 30.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -40.42 -61.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASN . 13.7 mt-10 -39.67 -67.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.5 m -39.29 -39.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.81 HD13 ' CD ' ' A' ' 47' ' ' GLU . 56.2 mt -76.18 -46.24 34.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLU . 53.8 m-20 -59.65 -42.47 92.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -62.44 -36.48 82.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.706 HD23 ' CE ' ' A' ' 39' ' ' MET . 10.4 mt -69.37 -56.33 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.536 HG21 ' OG1' ' A' ' 43' ' ' THR . 70.1 t -45.4 -45.9 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -46.15 -53.75 9.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.706 ' CE ' HD23 ' A' ' 36' ' ' LEU . 57.5 mtm -52.19 -34.75 46.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.577 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 122.62 59.57 0.2 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 14.7 m-85 -143.51 120.37 11.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.783 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' THR . 10.0 m-20 -42.5 127.01 3.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.536 ' OG1' HG21 ' A' ' 37' ' ' VAL . 0.9 OUTLIER -36.41 -56.46 0.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.172 . . . . 0.0 110.397 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -44.69 -51.7 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.852 ' CG1' HD21 ' A' ' 64' ' ' LEU . 4.9 t -59.1 -41.34 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.04 -52.29 64.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.81 ' CD ' HD13 ' A' ' 33' ' ' ILE . 3.8 mt-10 -62.14 -47.73 83.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.806 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -63.0 -43.16 99.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -56.67 -61.08 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.451 ' CD1' HG13 ' A' ' 33' ' ' ILE . 6.6 mt -45.39 -37.62 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.0 mtt-85 -73.04 -34.39 66.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 48' ' ' ALA . 76.9 t -58.94 -59.56 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 59' ' ' LEU . 61.2 m-85 -77.35 -65.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.412 ' O ' ' OD1' ' A' ' 56' ' ' ASN . . . 146.65 65.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.02 19.55 11.58 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.751 ' ND2' HD22 ' A' ' 59' ' ' LEU . 3.1 m120 -88.54 81.9 7.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' ASN . 23.7 t -38.97 -60.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -45.65 -66.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.751 HD22 ' ND2' ' A' ' 56' ' ' ASN . 7.0 mp -37.4 -57.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.571 ' HA ' ' CE1' ' A' ' 53' ' ' PHE . . . -55.77 -62.45 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 65' ' ' ALA . . . -44.2 -53.42 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -39.5 10.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.6 m -83.92 -61.29 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.421 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.852 HD21 ' CG1' ' A' ' 45' ' ' VAL . 24.6 mt -47.2 -26.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 61' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.842 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.25 141.28 50.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' ILE . 1.2 tp60 -39.07 -58.78 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 34' ' ' ASN . 2.3 mt-10 -41.36 -64.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.4 m -41.95 -30.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.556 HG23 ' HB3' ' A' ' 46' ' ' ALA . 25.3 mt -87.11 -43.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' GLU . 88.5 m-20 -61.94 -36.43 81.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -69.65 -27.88 65.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.602 HD23 ' CE ' ' A' ' 39' ' ' MET . 11.7 mt -77.52 -59.06 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.503 HG21 ' OG1' ' A' ' 43' ' ' THR . 66.4 t -41.96 -40.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.39 -50.07 70.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.602 ' CE ' HD23 ' A' ' 36' ' ' LEU . 34.3 mtm -55.06 -33.3 62.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.98 57.96 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 16.7 m-85 -145.66 115.29 7.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' THR . 10.2 m-20 -40.12 132.04 1.94 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.503 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -37.25 -57.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.6 t -44.28 -52.11 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.51 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 5.2 t -58.42 -41.02 80.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.556 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -63.4 -58.02 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -51.11 -53.42 34.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.0 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -62.54 -53.96 47.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 45' ' ' VAL . . . -41.73 -50.51 4.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.6 mt -60.85 -53.93 51.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.17 -22.64 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.0 HG23 ' O ' ' A' ' 48' ' ' ALA . 4.9 t -82.21 -73.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.531 ' O ' ' C ' ' A' ' 54' ' ' GLY . 19.7 m-85 -72.19 67.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.531 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 25.58 58.53 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 36.06 55.64 1.15 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 53' ' ' PHE . 40.7 m-20 -114.13 92.04 3.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.6 t -39.75 -47.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.86 -66.25 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.16 -57.27 3.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.526 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -50.96 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.441 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -44.24 -53.85 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -46.42 -37.6 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.526 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 19.1 m -85.05 -62.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 84.2 mt -45.62 -28.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -149.18 143.94 26.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 0.772 . . . . 0.0 110.045 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -40.52 138.12 1.0 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.969 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.64 106.86 0.54 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.54 88.04 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 0.754 . . . . 0.0 110.009 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.61 117.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.005 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.72 -75.63 0.04 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -82.89 144.0 47.22 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.527 0.78 . . . . 0.0 109.293 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 135.83 19.58 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.538 1.81 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -51.36 -36.46 43.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.575 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.9 mtp 51.09 177.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.561 ' CZ2' ' HG3' ' A' ' 19' ' ' PRO . 0.2 OUTLIER 44.5 74.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 108.029 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -68.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 108.002 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mt -136.21 -147.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 57.79 160.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 110.293 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 53.45 99.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.44 -64.02 1.07 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -126.04 100.13 30.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.561 ' HG3' ' CZ2' ' A' ' 12' ' ' TRP . 18.1 Cg_endo -75.02 -52.21 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.527 1.804 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.81 88.27 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -123.01 96.96 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -127.72 156.93 41.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 m -79.58 76.25 6.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.024 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -148.77 135.24 19.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -46.73 119.42 2.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -173.47 167.99 4.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.83 161.28 0.3 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.441 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.99 173.51 14.39 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.543 1.812 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 m -110.93 141.85 43.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -38.58 -58.65 1.02 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 110.26 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -48.97 -57.44 6.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.465 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 69.5 m -46.75 -36.36 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.455 HG23 ' HB3' ' A' ' 46' ' ' ALA . 36.4 mt -78.94 -43.49 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.257 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -61.69 -43.08 99.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -61.46 -27.39 68.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.601 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 9.7 mt -75.02 -53.35 9.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.528 HG21 ' OG1' ' A' ' 43' ' ' THR . 94.8 t -46.99 -38.38 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.77 -51.02 67.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.079 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.601 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 36.6 mtm -54.59 -33.84 61.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.475 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 122.08 57.53 0.21 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.59 1.181 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 64' ' ' LEU . 25.1 m-85 -145.05 116.7 8.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.979 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -42.96 130.62 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.528 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -37.62 -56.18 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.3 t -45.17 -49.1 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 42' ' ' ASP . 20.7 t -62.31 -39.65 84.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.455 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -62.19 -50.55 71.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' CD ' HD13 ' A' ' 33' ' ' ILE . 3.9 mt-10 -64.22 -41.32 97.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.968 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -68.37 -38.12 81.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -61.69 -63.54 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' GLY . 5.0 mt -43.11 -41.14 3.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -64.42 -41.98 96.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.968 HG23 ' O ' ' A' ' 48' ' ' ALA . 49.0 t -58.06 -57.97 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE1' ' HA ' ' A' ' 60' ' ' ALA . 22.2 m-85 -87.07 40.97 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 70.64 -57.85 0.94 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.145 . . . . 0.0 110.965 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 161.62 42.33 0.02 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.413 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.3 m120 -104.37 115.3 30.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 6.8 t -56.86 -40.82 73.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -68.25 -64.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.413 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -39.26 -44.88 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HA ' ' CE1' ' A' ' 53' ' ' PHE . . . -61.61 -59.61 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.583 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -53.94 -54.89 32.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.5 OUTLIER -38.0 -32.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 61' ' ' ALA . 25.9 m -99.29 -51.82 3.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 12.3 mt -49.99 -38.06 35.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.38 -61.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -41.57 -55.41 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.608 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -54.15 11.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.35 69.27 0.94 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.538 ' O ' ' CB ' ' A' ' 70' ' ' SER . . . 55.29 106.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 69' ' ' GLY . 2.5 t 156.31 -23.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 0.791 . . . . 0.0 110.003 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.403 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 3.5 mt 64.42 161.76 0.12 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.483 ' HG2' ' CB ' ' A' ' 75' ' ' LEU . 18.4 Cg_endo -75.04 117.76 5.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -13.29 21.42 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.73 43.03 3.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.483 ' CB ' ' HG2' ' A' ' 72' ' ' PRO . 0.1 OUTLIER -85.52 -37.19 19.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 77' ' ' PHE . 29.0 tt0 -118.35 117.77 29.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -37.49 -57.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 111.022 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.73 97.85 5.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.029 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -170.48 -147.84 5.72 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 137.22 21.34 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.5 1.789 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.0 p -169.59 130.99 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.83 -58.2 8.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.543 1.152 . . . . 0.0 110.003 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.488 1.117 . . . . 0.0 111.043 -179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -173.01 83.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.974 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -178.31 130.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.53 75.57 0.41 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.15 168.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.01 131.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.987 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.2 63.67 0.3 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.491 1.119 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 55.27 97.88 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.502 0.766 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -28.79 8.82 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.4 m170 48.53 45.81 21.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.599 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 41.9 mtm -37.97 -48.88 1.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' LEU . 48.0 m95 -67.82 -62.65 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 108.041 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.545 ' CE3' ' C ' ' A' ' 13' ' ' TRP . 0.1 OUTLIER 66.3 -78.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -65.16 -152.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -111.87 -25.43 9.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.349 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -179.5 154.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.09 -63.13 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 58.49 95.29 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.246 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -51.08 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.5 1.79 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 65.76 121.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -151.78 111.29 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -154.72 154.98 33.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.1 m -143.52 143.15 31.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 1.165 . . . . 0.0 109.957 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -101.41 147.21 26.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -41.38 111.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -166.47 175.97 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.2 p -50.16 152.06 3.19 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 155.01 42.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.81 146.71 24.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.96 -58.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.8 tt0 -44.53 -66.89 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.461 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 14.8 m -39.05 -39.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.729 HD13 ' CD ' ' A' ' 47' ' ' GLU . 44.2 mt -75.64 -46.54 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLU . 7.2 m-80 -59.33 -43.41 92.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -61.63 -28.65 69.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.605 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 11.5 mt -75.93 -55.88 5.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.497 HG21 ' OG1' ' A' ' 43' ' ' THR . 76.5 t -44.78 -36.58 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -57.1 -50.9 71.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.147 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.605 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 36.3 mtm -53.8 -33.6 56.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.43 59.04 0.22 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.571 1.169 . . . . 0.0 110.975 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.592 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 18.8 m-85 -146.63 119.77 8.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.774 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 43' ' ' THR . 71.4 m-20 -43.45 131.89 4.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.497 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -38.12 -55.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.1 t -45.79 -50.54 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 4.3 t -59.66 -41.43 85.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.62 -54.88 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.729 ' CD ' HD13 ' A' ' 33' ' ' ILE . 2.5 mt-10 -57.29 -50.76 71.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.345 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.024 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -62.49 -49.08 76.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -48.87 -63.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.2 mt -43.01 -64.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -39.88 -45.49 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.024 HG23 ' O ' ' A' ' 48' ' ' ALA . 19.7 t -57.93 -71.25 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.587 ' HZ ' HG21 ' A' ' 63' ' ' THR . 30.1 m-85 -72.43 67.48 0.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.11 49.18 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.475 1.109 . . . . 0.0 111.034 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 46.32 59.16 5.38 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 53' ' ' PHE . 16.9 m-20 -119.59 111.82 18.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.47 ' CG2' HD21 ' A' ' 50' ' ' LEU . 37.1 t -56.93 -53.19 45.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -54.96 -60.36 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.425 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -45.45 -60.17 2.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.0 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -44.61 -55.83 4.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.0 -31.19 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.587 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 1.2 m -91.72 -50.97 5.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.575 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 60.9 mt -55.23 -53.06 60.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.9 -43.1 13.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.37 -179.71 4.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.633 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 72.24 26.56 2.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.612 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.05 -49.64 3.8 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.444 1.09 . . . . 0.0 111.039 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 140.73 44.89 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.66 150.94 26.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 110.019 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 mt -45.4 157.28 0.37 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.801 ' O ' HD22 ' A' ' 75' ' ' LEU . 18.3 Cg_endo -75.02 137.59 21.86 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.533 1.807 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 72' ' ' PRO . 18.4 Cg_endo -74.93 -20.1 17.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.487 1.782 . . . . 0.0 111.034 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.21 86.97 2.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.931 HD12 HG11 ' A' ' 52' ' ' VAL . 2.1 pt? -144.33 -46.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.706 ' H ' HD23 ' A' ' 75' ' ' LEU . 13.7 mm-40 -136.59 145.4 44.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.247 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.3 t80 46.86 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.6 p -64.14 131.24 46.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -74.47 -170.29 23.88 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.123 . . . . 0.0 111.017 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 101.03 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.9 t -138.57 114.36 9.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.8 m 50.19 98.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.47 113.81 12.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 0.765 . . . . 0.0 109.994 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m 63.94 164.94 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.032 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.82 166.14 23.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.553 1.158 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.23 121.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 0.758 . . . . 0.0 109.969 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 p -74.74 138.29 42.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.05 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.45 147.86 18.77 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.7 m120 59.48 95.84 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.454 0.738 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -25.41 11.87 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 45.22 46.71 10.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.591 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.6 mtt -37.78 144.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.454 ' O ' ' N ' ' A' ' 14' ' ' LEU . 3.6 m0 -62.43 -62.18 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 108.056 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.511 ' CE3' ' C ' ' A' ' 13' ' ' TRP . 0.1 OUTLIER 66.84 -74.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.001 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.488 HD12 ' CD1' ' A' ' 13' ' ' TRP . 5.4 mp -61.12 83.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 13' ' ' TRP . 16.0 tt0 -111.86 -14.24 13.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t70 176.23 107.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 18' ' ' ASP . . . -107.84 -47.81 3.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.544 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 0.0 OUTLIER 159.93 -50.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 18' ' ' ASP . 18.2 Cg_endo -75.02 -36.65 2.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 51.82 87.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -126.3 -60.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -77.71 106.21 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.4 t -152.87 -61.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.995 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -126.24 96.21 4.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -79.76 116.58 20.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -162.63 98.73 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 35.7 t -172.62 131.97 0.66 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.598 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -75.0 -164.77 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.07 165.08 26.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.991 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -57.46 9.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.2 tt0 -49.73 -68.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 31' ' ' GLU . 36.0 p -36.71 -51.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.5 mt -64.4 -47.2 90.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 31' ' ' GLU . 23.2 m-20 -58.08 -46.79 84.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -58.65 -31.0 67.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.472 HD23 ' HE1' ' A' ' 39' ' ' MET . 12.6 mt -69.97 -58.42 3.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' GLY . 77.0 t -42.32 -45.94 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.91 -60.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.472 ' HE1' HD23 ' A' ' 36' ' ' LEU . 72.7 mtm -47.42 -34.67 7.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 37' ' ' VAL . . . 121.83 56.62 0.21 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.944 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 41.8 m-85 -140.02 114.32 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' THR . 5.6 m-20 -39.62 131.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -37.18 -59.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.419 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 96.1 t -40.66 -53.1 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.58 -43.52 83.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -60.49 -50.84 71.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.74 -40.18 96.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.996 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -69.14 -37.36 78.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -61.98 -63.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.598 HD13 ' CB ' ' A' ' 28' ' ' PRO . 3.9 mt -43.28 -41.35 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.0 mtt85 -64.12 -41.88 97.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.996 HG23 ' O ' ' A' ' 48' ' ' ALA . 46.9 t -58.42 -58.75 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 60' ' ' ALA . 22.0 m-85 -86.4 42.71 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 70.08 -58.47 0.8 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 163.21 41.9 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -102.93 132.88 48.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.9 t -73.85 -44.94 50.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -63.68 -54.93 27.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.53 -49.67 55.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.56 ' HA ' ' CE1' ' A' ' 53' ' ' PHE . . . -60.26 -60.19 4.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.11 -53.68 19.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.68 -46.09 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 54.6 m -80.38 -55.7 4.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.399 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 36.6 mt -44.55 -42.06 6.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.56 -58.95 2.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -75.44 77.85 2.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.599 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 178.73 -66.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.578 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.31 64.67 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.77 60.95 5.08 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.46 161.38 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 0.785 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.5 mt -92.88 163.45 25.62 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 18.4 Cg_endo -75.01 146.67 32.89 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 72' ' ' PRO . 18.3 Cg_endo -75.03 -37.15 2.14 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.454 1.765 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.65 83.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 tp -98.03 -58.47 1.98 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -86.26 112.33 21.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 60.75 97.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 m -83.01 162.5 21.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.94 -162.76 11.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.05 42.98 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.3 t -132.32 -57.66 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 110.012 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.2 p 178.95 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 110.96 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 p -62.17 -58.61 7.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 0.78 . . . . 0.0 109.995 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.36 129.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.02 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.53 -75.88 2.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 p -46.9 162.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 110.032 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.39 125.4 44.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.976 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.29 163.98 13.35 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.552 1.157 . . . . 0.0 111.034 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -161.39 99.87 1.24 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.438 0.728 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 149.21 36.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.544 1.813 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 11' ' ' MET . 67.4 m80 -86.27 46.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.589 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 10' ' ' HIS . 18.4 mtt -36.2 -44.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.529 ' CG ' ' O ' ' A' ' 12' ' ' TRP . 0.4 OUTLIER -76.27 90.3 3.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 107.974 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.2 p90 -97.61 65.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.15 76.57 1.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -122.92 126.34 47.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -137.29 129.01 28.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.18 -61.23 1.91 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 62.56 132.41 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -48.36 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.482 1.78 . . . . 0.0 110.966 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -167.19 112.67 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -121.08 105.68 10.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -112.09 -50.39 2.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.258 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -46.55 139.82 4.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.067 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.86 140.15 52.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -47.04 118.61 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -166.33 171.31 12.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.66 150.71 0.12 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 162.19 37.52 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.516 1.798 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.01 146.17 27.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -38.91 -59.0 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 34' ' ' ASN . 49.1 mt-10 -45.86 -65.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.418 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 48.7 m -39.53 -34.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.963 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.522 HG23 ' HB3' ' A' ' 46' ' ' ALA . 27.7 mt -81.29 -46.08 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 31' ' ' GLU . 70.4 m-20 -59.9 -39.79 86.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -65.52 -27.54 68.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.604 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 11.7 mt -76.26 -53.55 8.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.456 HG21 ' OG1' ' A' ' 43' ' ' THR . 76.8 t -43.52 -38.81 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -54.85 -60.54 3.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.604 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 40.5 mtm -44.63 -34.44 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.563 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.22 61.2 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 26.1 m-85 -148.0 115.28 6.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.793 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' THR . 11.7 m-20 -40.95 132.01 2.41 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.456 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -37.54 -55.16 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 110.452 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -46.59 -51.63 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.503 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 5.2 t -58.17 -40.75 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.522 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -62.44 -57.76 10.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.4 ' CD ' HD13 ' A' ' 33' ' ' ILE . 7.2 mt-10 -54.4 -52.98 60.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.03 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -60.27 -48.65 80.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.529 ' HB2' HD21 ' A' ' 71' ' ' LEU . . . -49.4 -65.44 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.0 mt -41.2 -66.21 0.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -38.16 -46.68 1.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.03 HG23 ' O ' ' A' ' 48' ' ' ALA . 21.5 t -57.6 -73.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.68 ' HZ ' HG21 ' A' ' 63' ' ' THR . 29.8 m-85 -69.73 64.72 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 29.56 51.2 0.15 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 39.52 69.64 0.41 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -131.25 101.93 5.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 41.6 t -43.85 -42.92 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' LEU . 1.3 tt0 -63.45 -71.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.266 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' GLN . 0.4 OUTLIER -40.11 -54.57 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.551 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -53.36 -61.32 2.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.65 -57.93 6.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -39.17 -34.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.68 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 2.5 m -91.13 -54.98 3.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.387 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.571 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 23.5 mt -48.44 -34.31 10.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.288 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.6 -49.25 10.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -58.36 -73.59 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.606 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -40.36 -60.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 122.57 39.99 0.52 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 102.09 -45.31 1.39 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 7.6 m -64.22 135.79 56.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 0.777 . . . . 0.0 110.024 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' ' 49' ' ' ALA . 23.9 mt -87.41 161.44 45.67 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 127.57 10.83 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.469 1.773 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -6.4 18.02 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.525 1.802 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -174.19 99.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.08 HD22 ' N ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -128.1 -41.61 1.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 1.08 ' N ' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER 28.68 89.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 78' ' ' SER . 4.9 t80 -69.98 147.07 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.585 ' O ' ' CE2' ' A' ' 77' ' ' PHE . 29.4 t -83.22 126.32 32.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.972 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 177.02 172.01 41.18 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.528 1.143 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.12 25.07 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -171.58 121.72 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 0.0 109.996 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 t -150.72 130.16 12.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.044 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.2 -57.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 0.783 . . . . 0.0 110.01 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.23 159.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.984 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.97 167.56 39.77 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.67 162.79 24.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 110.007 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.01 133.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.88 150.61 13.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -148.71 148.19 27.14 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 148.02 34.67 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.499 1.789 . . . . 0.0 110.986 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' MET . 66.0 m-70 -85.79 46.6 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' HIS . 36.0 mtp -36.42 145.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER 42.19 82.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 107.996 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -43.61 -51.56 6.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 108.012 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -150.43 21.43 0.83 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 13.0 pt20 45.25 -163.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.285 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -140.3 166.31 25.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -164.47 -50.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.77 141.93 0.12 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -58.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.41 1.742 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -156.32 -57.84 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -179.62 -46.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -175.44 -56.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.71 170.88 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.984 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.8 mmt-85 62.36 148.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.03 169.74 7.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.68 63.43 2.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.2 m -135.82 156.82 77.05 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.474 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.0 -179.96 5.5 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.771 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 m -125.24 151.13 46.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.4 ' O ' ' CG ' ' A' ' 34' ' ' ASN . 1.1 tp60 -39.36 -41.68 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.491 ' CB ' ' OE1' ' A' ' 35' ' ' GLN . 4.5 mt-10 -55.86 -78.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 31' ' ' GLU . 6.0 m -36.51 -50.28 0.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.043 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 21.9 mt -58.43 -51.02 76.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLU . 93.1 m-20 -60.98 -47.12 87.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.491 ' OE1' ' CB ' ' A' ' 31' ' ' GLU . 0.0 OUTLIER -57.84 -28.5 64.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.627 HD23 ' CE ' ' A' ' 39' ' ' MET . 10.2 mt -73.21 -54.14 9.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.465 HG21 ' OG1' ' A' ' 43' ' ' THR . 69.5 t -46.28 -42.1 4.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.08 -50.62 35.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.627 ' CE ' HD23 ' A' ' 36' ' ' LEU . 56.5 mtm -57.34 -32.86 67.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.509 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 122.36 54.91 0.21 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 12.4 m-85 -140.92 112.5 7.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 0.751 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 43' ' ' THR . 1.0 OUTLIER -40.09 131.15 2.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.465 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -36.42 -56.57 0.79 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.422 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.4 t -45.18 -51.95 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.508 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 7.2 t -58.68 -39.93 77.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.31 -52.5 61.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -59.57 -51.0 71.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.03 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -62.36 -49.09 76.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -49.41 -67.29 0.28 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.474 HD13 ' CB ' ' A' ' 28' ' ' PRO . 2.5 mt -40.25 -67.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -36.95 -46.31 0.63 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.03 HG23 ' O ' ' A' ' 48' ' ' ALA . 22.9 t -58.95 -75.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.612 ' HZ ' HG21 ' A' ' 63' ' ' THR . 24.4 m-85 -68.16 64.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.05 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.482 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 29.21 48.22 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.005 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 43.79 68.67 0.8 Allowed Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -130.8 100.02 5.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.429 ' CG2' ' OG ' ' A' ' 32' ' ' SER . 79.2 t -41.83 -44.19 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -62.27 -71.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' GLN . 0.6 OUTLIER -40.2 -48.52 2.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.509 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -58.36 -59.76 4.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.414 ' C ' ' N ' ' A' ' 63' ' ' THR . . . -52.67 -56.85 12.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -42.3 -27.63 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.612 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 49.0 m -96.07 -48.16 5.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.562 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 18.9 mt -58.68 -51.87 68.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.64 -56.05 26.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -41.92 -68.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.614 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -47.76 -69.32 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.616 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.45 51.0 0.09 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.69 61.34 2.31 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.11 148.97 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.3 mt -85.74 161.24 51.17 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.437 ' HG2' ' CB ' ' A' ' 75' ' ' LEU . 18.4 Cg_endo -75.0 145.74 31.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 72' ' ' PRO . 18.3 Cg_endo -74.98 -23.9 13.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.48 89.89 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.437 ' CB ' ' HG2' ' A' ' 72' ' ' PRO . 1.3 tp -107.42 -53.45 2.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -118.77 73.51 0.93 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -91.36 172.93 8.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 t -114.09 -176.22 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -110.43 98.52 1.09 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 82' ' ' SER . 18.5 Cg_endo -74.95 -35.93 2.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.485 1.781 . . . . 0.0 111.027 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.5 m 56.35 -87.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -105.31 -56.06 2.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.99 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.22 149.51 10.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 t -158.44 129.02 6.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.02 89.92 1.02 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.516 1.135 . . . . 0.0 111.034 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.49 109.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 110.02 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -173.53 152.14 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.35 129.06 6.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -162.61 99.88 1.09 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 109.303 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 117.33 4.86 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -49.43 -34.35 16.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.646 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.3 mtt 57.23 161.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -133.16 -54.7 0.91 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 108.009 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.427 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.3 OUTLIER 178.81 -74.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.8 mt -118.61 102.38 8.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -108.23 -25.52 11.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 17' ' ' ALA . 11.1 t0 -59.94 -33.42 71.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 16' ' ' ASP . . . 40.06 79.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.24 121.82 11.37 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.26 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -42.84 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -38.83 -61.44 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.335 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -40.8 -55.5 2.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -71.08 87.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.5 t -176.33 161.95 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.964 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 27.1 mtt-85 56.18 171.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -111.27 103.47 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -169.77 116.82 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t 62.47 151.48 0.11 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.977 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.575 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.4 Cg_endo -74.97 -178.92 4.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.475 1.776 . . . . 0.0 111.023 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.4 m -124.1 152.98 42.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -46.35 -38.56 8.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.332 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.445 ' OE1' ' NE2' ' A' ' 35' ' ' GLN . 7.3 tp10 -63.81 -69.4 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.458 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 26.5 m -40.54 -33.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.863 HD13 ' CD ' ' A' ' 47' ' ' GLU . 58.5 mt -80.74 -45.97 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 31' ' ' GLU . 89.4 m-20 -61.44 -40.67 95.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.445 ' NE2' ' OE1' ' A' ' 31' ' ' GLU . 18.2 mm-40 -64.27 -26.5 68.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 110.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.673 HD23 ' CE ' ' A' ' 39' ' ' MET . 10.0 mt -75.99 -58.36 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.253 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.514 HG21 ' OG1' ' A' ' 43' ' ' THR . 78.9 t -43.74 -45.07 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.8 -50.3 10.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.673 ' CE ' HD23 ' A' ' 36' ' ' LEU . 59.5 mtm -57.49 -40.4 78.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.549 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 131.21 56.68 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.57 ' CG ' HD13 ' A' ' 64' ' ' LEU . 12.5 m-85 -143.04 114.91 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' VAL . 2.1 m-20 -40.84 131.36 2.45 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.514 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -37.71 -54.51 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.366 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.0 t -46.81 -50.62 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 6.2 t -59.25 -41.99 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -62.39 -56.85 14.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.863 ' CD ' HD13 ' A' ' 33' ' ' ILE . 6.3 mt-10 -59.14 -50.81 72.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.08 . . . . 0.0 110.342 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.478 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -59.34 -50.02 75.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -48.44 -55.23 11.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.575 HD13 ' CB ' ' A' ' 28' ' ' PRO . 4.4 mt -51.92 -24.28 6.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -83.01 -26.26 31.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 48' ' ' ALA . 20.1 t -78.92 -47.27 23.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.57 ' HZ ' HG21 ' A' ' 63' ' ' THR . 44.3 m-85 -95.73 41.69 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 68.63 -58.92 0.48 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 163.71 41.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -105.76 118.5 36.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 13.9 t -61.24 -42.75 94.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -62.33 -63.14 1.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -40.61 -50.96 3.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.551 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -54.81 -59.56 4.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 63' ' ' THR . . . -53.71 -58.26 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.03 -31.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 110.357 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.57 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 3.1 m -88.65 -54.33 4.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.396 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.57 HD13 ' CG ' ' A' ' 41' ' ' PHE . 34.2 mt -54.23 -53.44 53.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.59 -56.05 18.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -40.69 -51.59 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.589 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 -93.62 -162.96 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.593 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.83 68.68 0.86 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 44.08 63.58 2.27 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.3 m -164.11 135.96 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.991 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.33 160.15 25.87 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.453 ' HG2' ' CB ' ' A' ' 75' ' ' LEU . 18.1 Cg_endo -75.02 144.34 30.06 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 72' ' ' PRO . 18.3 Cg_endo -75.0 -24.2 13.05 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.487 1.783 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -148.99 91.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.453 ' CB ' ' HG2' ' A' ' 72' ' ' PRO . 1.8 tp -115.19 -47.96 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -107.59 119.64 39.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.18 140.7 47.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.9 m -114.83 151.09 34.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -49.79 -75.86 0.19 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 119.41 5.64 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.532 1.806 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.5 p -149.64 158.5 44.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.012 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.69 107.21 18.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.986 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.95 164.04 33.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 109.976 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -95.18 155.22 16.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.52 101.7 0.48 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m 62.62 131.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 0.735 . . . . 0.0 109.941 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 t -151.86 122.8 7.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.79 -114.68 0.62 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.53 1.144 . . . . 0.0 111.012 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -52.1 130.93 40.92 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 137.91 22.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.495 1.787 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -48.75 -37.47 19.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.586 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.7 mtp 53.17 92.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.447 ' CZ2' ' HB2' ' A' ' 17' ' ' ALA . 95.9 m95 -68.2 -71.87 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 108.016 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.9 t-105 74.13 133.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.1 mt 47.55 94.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 70.16 120.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.344 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.93 168.55 9.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.582 1.176 . . . . 0.0 109.351 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB2' ' CZ2' ' A' ' 12' ' ' TRP . . . -46.08 -58.7 3.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -134.21 97.28 15.0 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -54.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.504 1.791 . . . . 0.0 110.992 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -128.74 77.98 1.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -134.3 127.11 31.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -42.09 115.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.78 107.31 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.975 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -85.65 141.04 30.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 110.252 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -51.69 160.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.31 174.97 13.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.21 164.45 0.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.05 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.631 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.02 175.34 11.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.34 147.11 42.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.037 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -42.87 -33.93 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.32 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' ASN . 23.2 mt-10 -65.31 -71.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.412 ' OG ' ' CG2' ' A' ' 57' ' ' VAL . 2.4 m -40.72 -35.73 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.406 HG13 ' CD1' ' A' ' 50' ' ' LEU . 44.0 mt -75.54 -46.45 37.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.33 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' GLU . 57.3 m-20 -63.49 -42.9 98.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -61.76 -28.66 69.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.7 HD23 ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -74.47 -54.28 7.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.532 HG21 ' OG1' ' A' ' 43' ' ' THR . 79.1 t -46.32 -37.57 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -57.63 -54.9 41.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.7 ' CE ' HD23 ' A' ' 36' ' ' LEU . 32.9 mtm -50.31 -36.89 33.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 125.82 57.92 0.16 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.608 ' CG ' HD13 ' A' ' 64' ' ' LEU . 26.7 m-85 -146.98 113.22 5.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 0.765 . . . . 0.0 111.043 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 41' ' ' PHE . 5.3 m-20 -40.61 134.43 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.532 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -40.16 -59.06 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.421 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.5 t -41.46 -51.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 4.6 t -60.31 -41.7 88.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -62.45 -55.09 30.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.496 ' OE2' ' CG2' ' A' ' 43' ' ' THR . 4.1 mt-10 -59.57 -50.69 72.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -60.3 -48.99 79.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -50.17 -55.37 15.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 109.312 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.631 HD13 ' CB ' ' A' ' 28' ' ' PRO . 6.1 mt -52.8 -21.58 4.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.264 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.68 -24.61 25.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.618 ' CG1' HD21 ' A' ' 75' ' ' LEU . 16.3 t -80.13 -42.99 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 32.2 m-85 -102.37 44.07 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 68.16 -60.44 0.4 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 165.93 41.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.424 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.6 m120 -105.52 124.98 50.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 0.765 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.49 HG13 ' CD2' ' A' ' 36' ' ' LEU . 81.0 t -67.15 -43.31 88.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.43 -58.28 6.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -45.0 -39.23 5.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -70.27 -62.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.604 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -48.02 -46.77 33.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.69 -39.82 25.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.479 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 1.8 m -78.96 -47.92 15.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.608 HD13 ' CG ' ' A' ' 41' ' ' PHE . 41.3 mt -57.91 -60.87 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.9 -54.61 12.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -51.57 -79.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.601 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -40.55 -83.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.594 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 165.49 41.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.472 1.108 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.52 -34.84 3.88 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 99.8 p -74.4 142.6 45.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 0.729 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.5 mt -69.6 162.75 65.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.614 ' CG ' HD23 ' A' ' 75' ' ' LEU . 18.2 Cg_endo -75.02 115.39 4.27 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -12.78 21.67 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.536 1.809 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -90.22 -56.55 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.764 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -59.12 -45.33 91.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.455 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 3.2 pp0? -138.11 120.94 16.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -115.34 -175.23 2.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 111.038 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.44 70.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.028 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 121.86 94.65 1.29 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 82' ' ' SER . 18.3 Cg_endo -75.02 63.16 5.99 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.51 -70.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 109.977 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 80' ' ' PRO . 0.4 OUTLIER 60.69 78.68 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.945 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.117 . . . . 0.0 111.013 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -123.56 139.57 53.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 0.761 . . . . 0.0 109.994 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.88 158.85 26.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.74 -167.52 37.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 m -142.16 162.28 35.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 0.79 . . . . 0.0 109.966 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 p -122.44 138.97 54.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.39 -117.21 3.14 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 58.44 95.37 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.548 0.793 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 136.09 19.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.481 1.779 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -50.65 -41.9 55.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.592 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.496 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 7.1 mtt 59.56 156.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.496 ' CD1' ' O ' ' A' ' 11' ' ' MET . 21.0 m95 -153.39 -171.33 3.88 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' LEU . 38.5 p90 -124.93 -61.47 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD13 ' HB3' ' A' ' 12' ' ' TRP . 8.3 mp 39.36 45.97 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 64.82 100.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -170.83 93.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.331 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.49 -65.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 51.06 96.27 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -51.04 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.445 1.76 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 22' ' ' ASN . 12.5 pt-20 -126.13 -43.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 t30 70.12 -63.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' GLU . 1.3 t-20 -161.19 113.07 1.84 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.1 106.58 8.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.999 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 ptp180 -52.69 157.67 1.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -116.96 83.92 2.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 47.39 82.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.3 p -158.78 83.6 2.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.525 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -75.01 155.67 42.88 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.44 1.758 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.58 145.51 27.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.94 -43.78 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.502 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 16.5 tt0 -60.13 -46.03 91.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.415 1.072 . . . . 0.0 110.306 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 61.3 m -60.08 -35.89 76.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 46' ' ' ALA . 27.9 mt -78.34 -44.62 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -64.38 -38.68 91.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.502 ' CG ' ' O ' ' A' ' 31' ' ' GLU . 5.7 mm-40 -66.56 -26.43 67.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.667 HD23 ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -76.14 -56.8 4.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.255 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 41' ' ' PHE . 73.2 t -47.0 -37.04 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -50.39 -47.9 56.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.667 ' CE ' HD23 ' A' ' 36' ' ' LEU . 67.2 mtm -61.79 -35.19 77.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 127.79 53.8 0.13 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.581 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 13.2 m-85 -138.33 111.04 7.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 0.737 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' VAL . 9.3 m-20 -39.09 131.54 1.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.476 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.1 m -36.45 -54.05 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.2 t -48.76 -49.93 14.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.512 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 10.8 t -59.16 -40.79 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.497 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -63.07 -57.53 10.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.431 ' CD ' HD13 ' A' ' 33' ' ' ILE . 3.8 mt-10 -54.65 -51.63 64.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.02 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -61.69 -51.02 70.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -47.05 -62.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.525 HD13 ' CB ' ' A' ' 28' ' ' PRO . 3.0 mt -44.4 -66.01 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' LEU . 35.9 mtt180 -38.26 -44.0 0.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.02 HG23 ' O ' ' A' ' 48' ' ' ALA . 16.7 t -59.63 -74.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 26.0 m-85 -69.45 65.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.72 44.16 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 53.76 59.37 9.89 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 53' ' ' PHE . 2.0 m120 -119.28 97.53 5.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.417 ' CG2' HD21 ' A' ' 50' ' ' LEU . 37.6 t -40.53 -44.43 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -63.41 -73.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.489 HD22 ' CD ' ' A' ' 62' ' ' GLN . 0.5 OUTLIER -41.06 -28.94 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.557 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -75.63 -51.03 13.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 58' ' ' GLN . . . -69.82 -51.89 29.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.511 ' CG ' ' N ' ' A' ' 63' ' ' THR . 6.3 pt20 -37.58 -47.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.345 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.511 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 1.1 m -77.54 -53.91 7.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.368 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.73 HD21 ' HG ' ' A' ' 71' ' ' LEU . 77.4 mt -48.59 -58.02 5.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.28 -52.09 17.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.29 -76.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.603 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -48.81 -56.48 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.584 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 143.68 -15.08 2.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 122.56 39.04 0.55 Allowed Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -122.47 -2.65 8.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 0.75 . . . . 0.0 109.995 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.73 ' HG ' HD21 ' A' ' 64' ' ' LEU . 4.4 mt 67.64 155.66 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.473 ' HD2' ' CD2' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -75.03 136.29 20.14 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.76 14.52 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.452 1.764 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.456 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -156.08 54.83 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.662 ' N ' HD12 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -37.81 -92.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.539 ' H ' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -87.42 76.55 9.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 110.238 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.2 t80 39.64 83.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.422 1.076 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.2 t -92.56 -61.43 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.035 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 105.85 93.29 2.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.105 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 79.61 2.63 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.54 1.811 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.95 -56.41 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.978 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.2 m 59.96 98.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.989 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 -179.953 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 p -167.42 121.24 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 0.8 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.27 133.07 30.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.985 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.61 173.79 18.87 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 p -131.87 170.33 15.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 0.744 . . . . 0.0 109.978 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 p -120.56 130.4 54.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.05 166.05 2.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.475 1.11 . . . . 0.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -139.8 127.98 13.16 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 135.38 19.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.477 1.777 . . . . 0.0 111.047 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -41.46 61.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.599 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 11.2 mtp 60.62 145.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 111.043 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -143.6 -171.54 3.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.008 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.419 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.6 OUTLIER 179.38 -59.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 107.988 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.702 HD12 ' H ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -150.09 -170.31 3.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.43 170.58 7.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.288 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -143.82 169.85 17.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ASP . . . -124.89 91.96 3.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' ALA . 2.1 p30 -40.38 101.11 0.23 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -1.35 11.11 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 71.78 62.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.252 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 173.91 90.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -121.63 -48.12 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' GLN . 25.2 m 58.52 171.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -61.37 82.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.509 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 1.6 mt-30 176.94 128.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.237 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.509 ' HB3' ' O ' ' A' ' 25' ' ' GLN . . . 72.13 -178.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.57 164.29 0.25 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.425 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.2 Cg_endo -75.01 178.56 7.1 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.442 1.759 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.63 172.61 8.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.81 -46.69 87.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' ASN . 0.8 OUTLIER -52.86 -76.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.452 ' CB ' ' CG2' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -36.2 -59.38 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.428 HD13 ' CD ' ' A' ' 47' ' ' GLU . 14.5 mt -52.29 -47.47 45.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 31' ' ' GLU . 12.1 m-20 -61.87 -52.6 63.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -52.35 -28.63 20.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.524 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.1 mt -72.57 -57.52 4.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.4 t -41.62 -44.93 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -44.97 -55.54 5.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.524 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 49.1 mtm -51.83 -33.31 35.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.13 54.88 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 64' ' ' LEU . 44.0 m-85 -140.32 112.81 7.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.773 . . . . 0.0 111.043 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' PHE . 3.9 m-20 -39.6 132.37 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -38.1 -58.66 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.4 t -42.4 -51.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.501 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 10.8 t -59.5 -39.84 80.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -64.7 -49.48 70.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.428 ' CD ' HD13 ' A' ' 33' ' ' ILE . 4.0 mt-10 -62.05 -48.99 77.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.015 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -64.79 -47.17 79.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -51.03 -64.93 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.8 mt -42.34 -63.48 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -40.05 -44.96 1.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.312 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.015 HG23 ' O ' ' A' ' 48' ' ' ALA . 22.6 t -59.26 -73.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.579 1.174 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.543 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 25.2 m-85 -69.77 67.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.517 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 27.51 52.25 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 42.18 57.24 3.7 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' PHE . 2.5 m120 -117.22 105.49 12.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.754 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.452 ' CG2' ' CB ' ' A' ' 32' ' ' SER . 23.5 t -49.61 -52.09 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.6 OUTLIER -56.27 -68.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.5 OUTLIER -39.47 -60.93 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.543 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -47.57 -64.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -47.03 -58.11 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.4 OUTLIER -38.33 -32.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 61' ' ' ALA . 5.5 m -95.46 -51.84 4.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.419 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 13.1 mt -50.57 -36.01 32.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.57 -51.82 25.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.67 76.09 6.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -176.79 -63.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.585 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 141.25 -15.02 2.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.34 31.53 5.83 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.8 t -118.87 -3.45 10.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 0.801 . . . . 0.0 109.974 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.6 mt 61.09 155.06 0.11 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 133.53 16.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -18.96 18.18 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.7 85.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 76' ' ' GLN . 0.2 OUTLIER -114.79 -58.73 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.41 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -81.26 83.63 6.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.323 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -133.37 128.07 34.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.7 t -133.88 149.95 51.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.964 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 103.97 -98.46 1.57 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 148.29 35.19 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.516 1.798 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.2 t -147.13 137.57 23.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.5 t -115.03 150.42 35.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 110.995 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -76.99 142.34 40.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -83.87 -58.5 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.54 65.01 1.47 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 111.025 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.96 -59.58 1.88 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 0.773 . . . . 0.0 110.031 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 t -74.72 -59.58 2.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.986 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.75 102.44 0.82 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -104.94 137.01 19.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 149.35 36.4 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.512 1.796 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' MET . 32.2 m170 -86.41 46.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.606 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' HIS . 28.4 mtt -36.29 143.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.3 p90 -118.66 107.15 13.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 107.998 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 22.9 p90 -98.39 64.22 1.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 107.979 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -146.6 121.81 10.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -97.67 123.6 41.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -79.36 142.27 36.18 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -163.62 -61.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 49.97 95.12 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -45.39 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.34 110.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 110.253 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -150.43 132.59 15.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.21 96.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -167.73 -45.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 166.18 9.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 63.01 145.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.82 132.08 41.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.376 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.53 160.8 31.46 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.495 ' CB ' HD13 ' A' ' 50' ' ' LEU . 18.3 Cg_endo -74.93 174.95 11.89 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.518 1.799 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.49 151.89 30.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.1 -40.06 22.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 34' ' ' ASN . 2.7 tp10 -61.24 -68.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.312 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.431 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 63.8 m -40.94 -34.77 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' O ' HG23 ' A' ' 37' ' ' VAL . 41.3 mt -77.31 -45.97 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 31' ' ' GLU . 43.7 m-20 -63.4 -42.03 98.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -62.57 -30.24 71.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 110.313 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.705 HD23 ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -72.46 -57.96 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.1 . . . . 0.0 109.319 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.5 HG21 ' OG1' ' A' ' 43' ' ' THR . 85.9 t -43.88 -42.74 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.62 -49.31 27.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 111.0 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.705 ' CE ' HD23 ' A' ' 36' ' ' LEU . 55.2 mtm -57.91 -35.66 71.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.524 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 125.53 55.54 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 12.4 m-85 -141.59 114.57 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 0.786 . . . . 0.0 110.978 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 43' ' ' THR . 5.8 m-20 -40.4 130.28 2.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.5 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.1 m -36.75 -56.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.417 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.3 t -45.27 -51.95 2.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.525 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 4.8 t -57.92 -41.19 79.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.86 -58.88 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -50.71 -54.19 25.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.767 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -61.58 -55.72 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -39.98 -47.62 2.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.495 HD13 ' CB ' ' A' ' 28' ' ' PRO . 3.5 mt -60.77 -51.47 69.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -52.75 -24.98 9.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 48' ' ' ALA . 3.8 t -80.75 -73.89 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.693 ' HZ ' HG21 ' A' ' 63' ' ' THR . 17.6 m-85 -73.2 67.99 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.569 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 21.45 60.04 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.968 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 37.71 60.62 1.2 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 53' ' ' PHE . 2.4 m120 -118.82 92.71 3.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 109.312 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 39.5 t -39.86 -49.29 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.81 -67.79 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.43 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -43.43 -43.97 5.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.556 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -59.49 -58.45 8.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' THR . . . -53.43 -59.07 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -38.27 -30.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.693 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 3.2 m -93.97 -57.41 2.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.399 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 73.3 mt -48.04 -42.03 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.02 -64.0 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 1.169 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -41.64 -66.6 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.613 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.05 -65.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.604 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 122.91 41.74 0.43 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.475 1.11 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.12 62.02 1.38 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.9 p 179.18 163.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 0.754 . . . . 0.0 110.036 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 mt -105.17 164.19 15.61 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.729 ' HG2' HD22 ' A' ' 75' ' ' LEU . 18.3 Cg_endo -75.04 152.5 40.64 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -15.84 20.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -179.12 116.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.729 HD22 ' HG2' ' A' ' 72' ' ' PRO . 2.7 pt? -132.14 -50.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.428 ' N ' ' HG ' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -83.76 100.47 10.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -48.02 100.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.33 166.06 3.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.05 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 115.52 88.03 1.46 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -171.81 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.46 1.768 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 28.0 p -100.09 163.81 12.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.143 . . . . 0.0 110.006 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 75.8 m -83.37 129.01 34.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 p -107.22 148.82 28.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 0.779 . . . . 0.0 109.987 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 t -175.78 125.22 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.56 -179.04 22.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 111.039 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 40.53 91.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 110.002 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m 60.13 79.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.969 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.4 172.86 17.43 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -102.33 110.87 63.74 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.48 0.753 . . . . 0.0 109.257 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -24.91 12.31 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.522 1.801 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 43.68 48.05 6.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.606 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.5 mtp -38.36 158.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.507 ' CG ' ' OD2' ' A' ' 16' ' ' ASP . 0.9 OUTLIER 42.06 85.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 107.976 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.9 p90 -56.86 -32.49 65.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 108.022 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.5 mt -141.04 -170.11 2.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -41.09 103.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.507 ' OD2' ' CG ' ' A' ' 12' ' ' TRP . 0.5 OUTLIER -47.49 171.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 18' ' ' ASP . . . -119.29 -58.1 1.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 17' ' ' ALA . 0.9 OUTLIER 59.0 157.69 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -37.04 2.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.487 1.782 . . . . 0.0 111.03 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -86.04 70.2 10.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.2 t30 178.35 93.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.21 -54.99 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 97.5 p -171.93 116.9 0.38 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -50.5 130.86 24.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 110.266 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.12 92.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.274 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 41.15 78.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.79 96.18 0.55 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 163.5 35.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.78 153.66 22.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.007 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -45.75 -37.57 6.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' ASN . 0.9 OUTLIER -62.94 -70.81 0.19 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.263 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.464 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 12.7 m -39.69 -40.7 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.2 mt -71.24 -46.55 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLU . 13.9 m-20 -62.27 -44.72 95.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -60.57 -28.86 68.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.256 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' CD2' ' HE1' ' A' ' 39' ' ' MET . 12.2 mt -74.38 -57.06 4.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' LEU . 53.7 t -40.07 -45.02 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -46.33 -64.93 0.63 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.664 ' HE1' ' HB2' ' A' ' 61' ' ' ALA . 2.1 mtp -42.28 -34.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 110.985 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.602 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.39 71.7 0.29 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.462 1.101 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.602 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 55.6 m-85 -158.57 113.72 2.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' THR . 9.3 m-20 -39.94 131.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -36.32 -60.01 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.396 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.2 t -41.45 -54.47 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 5.9 t -56.95 -40.13 70.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -63.62 -51.78 63.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -60.73 -50.62 72.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.346 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.023 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -62.3 -47.69 83.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.138 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -50.01 -65.68 0.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.1 mt -41.88 -64.88 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.234 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.2 mtt180 -38.75 -44.31 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.023 HG23 ' O ' ' A' ' 48' ' ' ALA . 21.8 t -60.89 -75.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 22.1 m-85 -68.12 67.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 27.99 54.97 0.12 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.541 1.151 . . . . 0.0 110.992 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 38.19 59.96 1.41 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.429 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 2.4 m120 -121.28 110.13 15.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 61.4 t -52.64 -57.18 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -51.33 -67.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 110.248 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.429 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -39.73 -71.19 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.575 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -41.33 -60.68 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.664 ' HB2' ' HE1' ' A' ' 39' ' ' MET . . . -48.09 -45.87 33.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' A' ' 63' ' ' THR . 0.4 OUTLIER -47.84 -48.38 30.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 2.2 m -80.15 -44.14 20.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.444 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.58 ' HB3' ' CZ ' ' A' ' 41' ' ' PHE . 12.0 mt -56.28 -29.93 61.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 61' ' ' ALA . . . -81.34 -52.92 6.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -50.1 -58.5 5.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 109.58 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.65 -56.82 8.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.585 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.54 51.9 0.89 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 70' ' ' SER . . . 68.88 107.07 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 69' ' ' GLY . 2.6 t 157.35 -23.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 0.756 . . . . 0.0 109.98 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.3 mt 60.57 155.15 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.443 ' HG2' ' CB ' ' A' ' 75' ' ' LEU . 18.4 Cg_endo -75.02 145.26 31.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.67 13.55 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.1 89.66 1.39 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.443 ' CB ' ' HG2' ' A' ' 72' ' ' PRO . 1.2 tp -107.62 -56.88 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -128.63 74.7 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 11.5 t80 42.51 87.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.4 m -110.08 -59.9 1.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -169.59 -177.56 40.18 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.437 1.085 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.19 4.73 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.461 1.769 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.8 t 66.67 122.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.5 m -103.23 169.91 8.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.043 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.458 1.099 . . . . 0.0 110.959 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.044 -0.823 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m 62.13 130.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 0.801 . . . . 0.0 109.98 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.7 t -162.86 136.19 5.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.38 155.36 8.82 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.4 p -138.43 149.96 46.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.793 . . . . 0.0 109.986 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.41 -60.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.034 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.96 -176.72 27.29 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.506 1.128 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -167.39 137.18 2.28 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 139.4 24.32 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.491 1.785 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -35.18 75.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.594 1.184 . . . . 0.0 109.592 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.7 mtt 54.59 106.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -126.56 56.48 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 107.96 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.443 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 35.3 p90 -153.04 -55.62 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' N ' ' CD1' ' A' ' 13' ' ' TRP . 8.4 mp 38.15 39.87 0.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.4 129.45 39.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -166.06 160.29 16.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.26 102.41 2.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -47.05 108.58 0.89 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.366 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -35.37 3.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.774 . . . . 0.0 111.012 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -76.6 69.57 3.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.6 t30 66.87 108.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.352 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -102.69 122.43 44.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 t 60.67 149.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -87.19 85.9 7.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -135.17 155.0 51.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -104.88 85.42 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.271 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -173.87 123.03 0.4 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 110.021 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.598 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.3 Cg_endo -75.05 164.43 33.28 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.049 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 p -98.05 139.86 33.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.027 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' ILE . 1.1 tp60 -38.45 -65.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 18.1 mt-10 -40.62 -44.78 2.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.25 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.4 m -60.2 -45.44 93.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.938 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.598 HD11 ' HG2' ' A' ' 28' ' ' PRO . 20.3 mt -70.33 -46.67 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -60.91 -41.7 96.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 31' ' ' GLU . 5.8 mm-40 -63.68 -26.77 68.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 11.3 mt -74.89 -58.27 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.437 HG21 ' OG1' ' A' ' 43' ' ' THR . 77.8 t -41.18 -43.36 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.59 -59.2 1.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.526 ' CE ' ' HB2' ' A' ' 61' ' ' ALA . 69.6 mtm -49.4 -32.7 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.95 58.16 0.25 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 33.0 m-85 -141.24 115.47 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 43' ' ' THR . 86.4 m-20 -40.28 130.0 2.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.459 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 1.1 m -36.7 -55.27 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.428 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.475 HG23 ' H ' ' A' ' 45' ' ' VAL . 2.9 m -44.88 -55.73 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.475 ' H ' HG23 ' A' ' 44' ' ' VAL . 6.3 t -55.72 -39.71 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -62.25 -51.18 68.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' CD ' HD13 ' A' ' 33' ' ' ILE . 4.0 mt-10 -65.17 -43.53 91.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.003 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -65.73 -40.15 91.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -59.48 -66.35 0.53 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' GLY . 2.5 mt -41.67 -43.97 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -60.84 -44.23 97.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.003 HG23 ' O ' ' A' ' 48' ' ' ALA . 42.3 t -57.09 -57.5 9.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 20.4 m-85 -87.61 40.56 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 69.68 -58.51 0.71 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.66 42.11 0.02 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.412 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.4 m120 -101.55 112.25 24.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.777 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.3 t -54.94 -40.7 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -68.01 -65.5 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.412 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.5 OUTLIER -39.67 -46.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.563 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -59.94 -61.57 2.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.526 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -51.11 -54.95 20.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.92 -34.63 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.469 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 13.3 m -90.11 -56.3 3.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 82.2 mt -47.21 -48.13 24.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.47 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -40.8 -62.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.587 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.95 -55.51 33.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.612 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.91 -14.23 3.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.531 1.144 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 114.16 19.07 6.46 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.7 t -107.66 -3.6 19.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 0.769 . . . . 0.0 110.007 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.463 ' CD2' ' HD2' ' A' ' 72' ' ' PRO . 3.3 mt 63.5 154.97 0.12 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.533 ' HG2' ' CD2' ' A' ' 75' ' ' LEU . 18.3 Cg_endo -75.03 129.93 12.77 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.81 19.3 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.778 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.13 -63.22 1.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.812 ' C ' HD12 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -70.99 -41.85 70.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.712 ' N ' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -105.43 79.62 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.46 123.03 11.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.48 78.9 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.33 104.6 0.08 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 147.31 33.67 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.476 1.777 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.5 t -56.55 108.5 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.58 84.02 1.85 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 65.35 113.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 0.747 . . . . 0.0 110.03 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.67 156.6 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.998 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.23 111.15 1.44 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -179.82 164.48 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 0.764 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.65 -61.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.56 55.09 0.15 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 176.26 125.36 0.16 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 149.72 37.16 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 111.03 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 11' ' ' MET . 14.6 p-80 -86.6 46.0 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.55 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.469 ' O ' ' N ' ' A' ' 13' ' ' TRP . 49.4 mtp -36.35 -61.28 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' MET . 16.7 m0 40.7 -98.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 107.972 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' MET . 27.4 t-105 78.39 -70.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 107.989 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.6 mt -138.37 54.28 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.01 173.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.269 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.61 88.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.3 -61.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 173.47 122.18 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -60.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 40.93 71.2 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -178.18 155.4 0.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 174.43 97.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m 59.93 98.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.064 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.27 90.06 6.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.59 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 14.9 pt20 -46.84 133.31 10.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 25' ' ' GLN . . . 76.31 -177.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.0 p -40.67 156.32 0.19 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.643 ' HB2' HD13 ' A' ' 50' ' ' LEU . 18.2 Cg_endo -75.05 157.66 42.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.784 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' GLN . 4.6 m -89.54 140.34 29.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.045 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 29' ' ' SER . 2.3 tp60 -38.56 -52.35 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 34' ' ' ASN . 9.0 mt-10 -50.16 -65.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 m -40.62 -29.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.031 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.819 HD13 ' CD ' ' A' ' 47' ' ' GLU . 32.0 mt -87.52 -45.08 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 31' ' ' GLU . 72.7 m-20 -61.61 -36.76 81.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 -68.75 -26.18 65.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.23 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.557 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.4 mt -75.78 -52.64 9.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.538 HG21 ' OG1' ' A' ' 43' ' ' THR . 73.6 t -47.56 -39.48 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -52.16 -46.77 65.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.594 ' CE ' ' HB2' ' A' ' 61' ' ' ALA . 44.8 mtm -60.42 -32.61 71.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.23 54.08 0.23 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 36.3 m-85 -140.21 116.77 10.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.747 ' OD1' HG23 ' A' ' 44' ' ' VAL . 2.1 t0 -40.4 132.54 2.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.538 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.1 m -40.94 -40.64 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.747 HG23 ' OD1' ' A' ' 42' ' ' ASP . 2.8 t -62.08 -47.02 95.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.522 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 13.1 t -59.73 -35.46 60.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.592 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -69.32 -61.45 1.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.819 ' CD ' HD13 ' A' ' 33' ' ' ILE . 3.3 mt-10 -50.9 -51.32 53.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.564 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -59.51 -50.63 73.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 45' ' ' VAL . . . -48.04 -52.91 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.643 HD13 ' HB2' ' A' ' 28' ' ' PRO . 5.7 mt -56.42 -24.31 44.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -81.91 -24.52 35.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 48' ' ' ALA . 15.5 t -78.53 -55.53 9.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.568 ' CE2' ' HA ' ' A' ' 60' ' ' ALA . 18.7 m-85 -90.4 44.66 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 67.97 -59.11 0.37 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 164.25 42.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.408 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.4 m120 -103.86 120.13 40.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.7 t -62.79 -41.38 92.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -61.61 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.408 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -42.35 -38.82 1.95 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -69.64 -62.65 1.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -48.73 -41.48 32.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.62 -38.28 66.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 110.295 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.448 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 18.0 m -86.3 -49.12 7.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.422 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.828 HD21 HD21 ' A' ' 71' ' ' LEU . 33.9 mt -58.87 -18.14 30.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 61' ' ' ALA . . . -84.78 -49.87 8.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.95 -56.09 25.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.583 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -60.73 -87.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.618 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 135.5 44.92 0.1 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.78 48.85 2.62 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.6 m -171.21 120.4 0.51 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 0.742 . . . . 0.0 109.978 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.828 HD21 HD21 ' A' ' 64' ' ' LEU . 1.1 mm? -81.96 158.6 67.29 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 18.2 Cg_endo -75.05 146.37 32.4 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 72' ' ' PRO . 18.1 Cg_endo -75.05 -37.2 2.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.992 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -146.84 78.17 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.01 -62.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 13.2 pt20 -91.16 112.62 24.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.579 ' CD2' ' O ' ' A' ' 77' ' ' PHE . 51.3 p90 -95.43 111.06 23.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.8 t -170.71 82.3 0.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.049 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 153.39 -147.9 17.95 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -39.1 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.47 1.773 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.5 m 61.96 108.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.963 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 37.1 p -126.16 123.79 39.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.033 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.125 . . . . 0.0 110.985 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.8 p 58.76 113.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 110.012 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.61 164.39 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.11 -175.57 37.91 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.69 166.96 6.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.966 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.19 164.05 33.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.975 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.29 -173.96 18.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.541 1.151 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -144.97 160.56 46.13 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 109.335 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -29.39 8.23 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.773 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 48.92 45.86 22.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.567 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.2 mtp -37.91 125.93 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -135.51 83.56 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 108.002 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -108.86 -148.45 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 108.005 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.5 mt -113.05 -144.68 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -117.78 162.46 18.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -75.28 166.53 23.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.07 -61.09 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.46 130.38 0.41 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -52.6 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -159.52 103.97 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.435 ' ND2' ' H ' ' A' ' 21' ' ' ASN . 2.5 p30 -83.67 -49.0 9.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -46.32 125.37 6.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 m -127.26 147.3 50.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.98 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.86 95.81 4.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -148.37 79.43 1.44 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 55.2 169.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 t 56.67 95.36 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.961 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 164.39 33.46 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.538 1.81 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.0 m -101.37 145.79 28.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.33 -45.45 8.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 35' ' ' GLN . 5.3 mm-40 -59.51 -45.71 90.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.351 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.474 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 59.8 m -59.76 -37.18 78.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 46' ' ' ALA . 28.1 mt -77.41 -46.74 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -61.63 -39.85 92.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.43 ' CG ' ' O ' ' A' ' 31' ' ' GLU . 5.2 mm-40 -64.92 -28.17 69.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 110.258 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.606 HD23 ' CE ' ' A' ' 39' ' ' MET . 10.9 mt -74.81 -60.18 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 69.6 t -40.83 -38.73 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.548 1.155 . . . . 0.0 109.355 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -55.22 -45.62 75.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.606 ' CE ' HD23 ' A' ' 36' ' ' LEU . 31.5 mtm -60.65 -36.09 77.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.514 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 127.54 53.66 0.13 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 15.2 m-85 -143.66 110.82 5.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 0.772 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 43' ' ' THR . 36.1 t0 -38.69 137.66 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 46' ' ' ALA . 1.3 m -38.41 -63.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.392 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.56 HG13 ' N ' ' A' ' 45' ' ' VAL . 8.3 p -40.62 -54.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.56 ' N ' HG13 ' A' ' 44' ' ' VAL . 10.4 t -55.25 -41.63 62.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 43' ' ' THR . . . -63.46 -52.38 61.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' OE2' ' CG2' ' A' ' 43' ' ' THR . 4.6 mt-10 -60.33 -51.01 71.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.02 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -61.69 -47.28 86.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -51.44 -66.7 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.524 HD21 ' CG2' ' A' ' 57' ' ' VAL . 2.7 mt -40.09 -65.02 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -38.99 -46.87 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.02 HG23 ' O ' ' A' ' 48' ' ' ALA . 25.0 t -57.76 -72.99 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 27.4 m-85 -70.26 67.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.513 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.15 52.46 0.11 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.455 1.097 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 40.42 60.41 2.03 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.432 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 2.1 m120 -120.91 104.89 10.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.524 ' CG2' HD21 ' A' ' 50' ' ' LEU . 21.3 t -48.53 -49.49 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 59' ' ' LEU . 1.5 tt0 -58.84 -68.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.432 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -39.93 -59.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.564 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -47.75 -62.28 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.498 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -48.75 -56.9 7.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -38.53 -33.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.295 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.466 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 1.8 m -95.99 -53.78 3.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 18.5 mt -48.51 -34.21 10.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.78 -56.51 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -40.79 -55.65 2.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.575 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -81.05 -37.16 29.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.616 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.41 68.97 1.4 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.519 ' O ' ' CB ' ' A' ' 70' ' ' SER . . . 61.9 110.14 0.01 OUTLIER Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 69' ' ' GLY . 2.7 t 158.06 -23.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.557 0.798 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.0 mt 64.35 164.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.432 ' HG2' HD13 ' A' ' 75' ' ' LEU . 18.5 Cg_endo -74.98 126.84 10.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -10.15 21.1 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.55 1.816 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.78 100.39 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.61 ' CD1' ' CG1' ' A' ' 52' ' ' VAL . 2.6 pt? -134.16 -45.8 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.502 ' H ' HD23 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -153.52 161.24 42.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.311 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -41.1 -47.53 3.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.58 100.62 2.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.54 95.78 0.19 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.531 1.145 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.02 8.3 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.428 1.752 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.2 m -154.56 152.38 29.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.0 m 49.17 79.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.003 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -157.8 156.96 32.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 0.754 . . . . 0.0 110.052 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.6 p -171.71 166.56 6.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.55 172.68 26.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.99 158.92 15.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 0.735 . . . . 0.0 110.027 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -111.88 169.19 9.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.993 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.83 158.23 30.43 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -171.07 117.6 0.45 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 144.01 30.02 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.496 1.787 . . . . 0.0 111.04 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 11' ' ' MET . 12.6 p80 -84.52 48.13 1.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.631 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' HIS . 67.0 mtp -36.23 148.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 40.5 m95 -118.96 112.11 19.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.006 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 18.6 t-105 -60.39 -59.43 5.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.0 mt -147.22 112.91 5.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -55.54 -18.32 7.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -112.78 173.19 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -162.45 69.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.238 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -157.19 115.64 1.97 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -57.37 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.535 1.808 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -171.33 -60.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -164.38 -55.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -157.1 114.13 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 t -67.47 -43.66 80.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.005 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -52.38 120.01 5.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.284 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -113.64 176.25 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -88.4 71.5 9.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.3 p -179.52 126.94 0.24 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.4 Cg_endo -75.0 167.93 25.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.473 1.775 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 p -106.03 145.93 30.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.989 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -39.85 -42.82 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.3 tp10 -61.27 -67.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 m -39.97 -36.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.705 HD13 ' OE2' ' A' ' 47' ' ' GLU . 37.4 mt -76.08 -46.78 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLU . 8.2 m-20 -61.6 -42.89 99.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -61.36 -28.21 69.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.555 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 10.1 mt -73.51 -56.97 4.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.514 HG21 ' OG1' ' A' ' 43' ' ' THR . 82.2 t -43.85 -41.59 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.68 -46.78 50.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.571 ' CE ' ' HB2' ' A' ' 61' ' ' ALA . 41.1 mtm -60.06 -32.28 70.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.7 53.3 0.24 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 41.3 m-85 -139.67 118.48 12.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.776 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 43' ' ' THR . 54.3 m-20 -43.08 130.11 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.514 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -37.87 -54.51 1.26 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.521 HG23 ' H ' ' A' ' 45' ' ' VAL . 3.4 m -45.44 -57.15 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.521 ' H ' HG23 ' A' ' 44' ' ' VAL . 10.7 t -55.32 -38.52 48.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 43' ' ' THR . . . -62.3 -49.81 74.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.705 ' OE2' HD13 ' A' ' 33' ' ' ILE . 3.6 mt-10 -67.31 -44.33 79.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.002 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -64.73 -40.1 94.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.616 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -61.85 -66.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 55' ' ' GLY . 5.2 mt -41.14 -42.51 2.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -44.81 95.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.002 HG23 ' O ' ' A' ' 48' ' ' ALA . 49.0 t -56.38 -59.39 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 60' ' ' ALA . 17.8 m-85 -85.6 43.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 50' ' ' LEU . . . 68.93 -59.03 0.53 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.459 1.099 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 163.8 41.73 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.405 ' CB ' ' HB2' ' A' ' 59' ' ' LEU . 1.7 m120 -99.51 129.7 45.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 0.794 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.2 t -73.11 -45.34 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -62.92 -54.73 34.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.095 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -46.86 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.616 ' HB1' ' HB1' ' A' ' 49' ' ' ALA . . . -43.26 -61.88 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.571 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -46.89 -45.34 20.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.467 ' CG ' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -51.28 -48.43 62.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 110.268 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 1.5 m -75.26 -45.7 38.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.556 1.16 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.577 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 85.9 mt -56.96 -63.99 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.94 -59.72 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.25 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.72 -35.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.574 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' LEU . 15.8 m-70 -106.27 -171.41 1.89 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.3 39.85 2.62 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.63 -41.64 3.09 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.8 m -59.76 120.03 8.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 109.996 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.78 162.69 26.62 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.469 ' HG2' ' CB ' ' A' ' 75' ' ' LEU . 18.3 Cg_endo -75.03 141.51 26.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 72' ' ' PRO . 18.3 Cg_endo -75.01 -23.31 13.91 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.529 1.805 . . . . 0.0 111.045 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.63 89.21 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.469 ' CB ' ' HG2' ' A' ' 72' ' ' PRO . 0.8 OUTLIER -116.46 -60.57 1.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -121.17 118.27 29.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.98 143.77 49.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.28 125.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.007 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 160.22 157.62 8.76 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.69 15.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.495 1.787 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 t 179.76 109.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.7 t -160.72 -58.75 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.033 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.05 167.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 0.762 . . . . 0.0 109.984 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.73 170.18 17.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.99 -141.01 3.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.491 1.119 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m 62.33 157.72 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.779 . . . . 0.0 109.974 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 p -137.97 167.86 20.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.016 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.21 126.02 1.55 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -164.02 156.38 14.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 149.54 37.12 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.546 1.813 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 11' ' ' MET . 2.0 p80 -86.34 46.16 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.587 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.441 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 13.1 mtm -36.59 -44.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.441 ' CD1' ' O ' ' A' ' 11' ' ' MET . 25.0 m95 -152.54 -171.37 3.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 108.024 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 69.38 126.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 mt 47.45 94.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -179.75 126.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 170.64 170.34 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -130.92 -58.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.355 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t0 62.56 123.51 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -39.59 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.511 1.795 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 67.37 101.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -171.35 133.3 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -177.65 167.57 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 m -130.65 138.72 50.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.031 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.75 130.29 33.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.81 103.66 13.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.609 ' HB1' ' HE ' ' A' ' 51' ' ' ARG . . . 56.38 76.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.1 82.35 0.21 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.4 41.5 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.63 149.61 21.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -43.94 -51.23 7.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 34' ' ' ASN . 4.1 tt0 -52.83 -66.44 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.464 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 43.7 m -39.88 -38.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.403 HD13 ' CD ' ' A' ' 47' ' ' GLU . 35.6 mt -76.25 -45.35 35.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 31' ' ' GLU . 54.4 m-20 -61.34 -42.46 98.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.229 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 61.2 mm-40 -61.28 -30.63 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.527 ' CD2' ' CE ' ' A' ' 39' ' ' MET . 8.8 mt -71.5 -59.42 2.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.479 HG21 ' OG1' ' A' ' 43' ' ' THR . 93.9 t -40.63 -45.8 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -43.73 -53.6 5.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.527 ' CE ' ' CD2' ' A' ' 36' ' ' LEU . 51.2 mtm -53.61 -34.36 58.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.22 56.87 0.21 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.512 1.132 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.582 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 32.8 m-85 -142.22 116.19 9.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 0.796 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 43' ' ' THR . 0.7 OUTLIER -40.77 130.2 2.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.479 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -38.11 -54.87 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.9 t -45.56 -51.33 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 3.9 t -58.67 -41.5 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -62.03 -56.55 17.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' CD ' HD13 ' A' ' 33' ' ' ILE . 4.0 mt-10 -55.0 -53.96 49.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.26 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.013 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -59.87 -47.49 85.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -51.28 -66.96 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.0 mt -39.19 -63.58 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.609 ' HE ' ' HB1' ' A' ' 26' ' ' ALA . 7.8 mtp180 -41.16 -47.04 3.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.013 HG23 ' O ' ' A' ' 48' ' ' ALA . 23.2 t -56.56 -66.78 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 60' ' ' ALA . 33.8 m-85 -76.74 69.16 3.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.51 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.48 53.87 0.13 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 40.32 57.39 2.65 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.452 ' C ' HD23 ' A' ' 50' ' ' LEU . 2.8 m120 -116.91 129.24 55.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 32' ' ' SER . 27.0 t -70.17 -62.0 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -48.52 -59.47 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.42 ' HB2' ' CB ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -45.67 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.563 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -39.46 -62.06 0.72 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.431 ' CB ' ' CE ' ' A' ' 39' ' ' MET . . . -46.29 -46.16 17.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -49.64 -48.2 49.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' A' ' 62' ' ' GLN . 20.7 m -74.78 -43.28 55.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.582 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 28.2 mt -56.58 -51.21 69.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -43.14 -48.3 6.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.14 -175.51 3.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.573 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 67.5 38.58 3.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.86 -55.96 4.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.01 -29.99 0.54 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.04 171.58 14.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 109.967 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.9 mt -71.42 152.9 94.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.46 ' HG3' HG21 ' A' ' 63' ' ' THR . 18.2 Cg_endo -75.0 118.61 5.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -15.03 20.84 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.53 1.805 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 75' ' ' LEU . 3.3 t0 -132.25 33.29 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 74' ' ' ASP . 3.4 tt -38.11 -89.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -114.42 -20.8 10.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.311 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.07 120.05 30.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.23 83.79 1.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -126.46 -88.13 0.66 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 142.14 27.51 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.522 1.801 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 54.1 p -98.27 92.63 5.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.5 t -102.38 -58.98 1.78 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.536 1.147 . . . . 0.0 110.983 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.23 158.86 7.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 0.724 . . . . 0.0 110.036 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -168.59 108.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.967 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.04 113.27 0.5 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 t -105.3 -54.86 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 109.931 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -80.43 124.59 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.036 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.39 -145.99 14.83 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.441 1.088 . . . . 0.0 111.017 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.489 ' O ' ' CE1' ' A' ' 10' ' ' HIS . 13.7 m-80 -50.63 109.67 1.42 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.531 0.783 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.448 ' O ' ' CB ' ' A' ' 10' ' ' HIS . 18.4 Cg_endo -74.98 -26.78 10.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.489 ' CE1' ' O ' ' A' ' 8' ' ' ASN . 14.1 m80 83.84 -47.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.601 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 56.9 mtm 56.39 103.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 111.064 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.435 ' O ' ' CD1' ' A' ' 13' ' ' TRP . 10.5 m95 -123.24 85.42 2.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 108.023 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.435 ' CD1' ' O ' ' A' ' 12' ' ' TRP . 20.3 p90 45.16 66.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 107.992 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 mt -131.51 77.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 40.53 92.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -147.44 138.63 23.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.04 61.17 2.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.522 ' CB ' ' CD ' ' A' ' 19' ' ' PRO . 0.2 OUTLIER -85.64 179.06 2.0 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 18' ' ' ASP . 18.3 Cg_endo -75.01 -44.32 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.437 1.756 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 67.47 68.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.318 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 171.76 93.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 167.77 -51.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.1 m 43.58 61.17 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -135.39 151.04 50.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.501 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 17.4 mm-40 64.1 126.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 25' ' ' GLN . . . 72.71 175.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -41.19 154.24 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.04 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.867 ' HG2' HD11 ' A' ' 33' ' ' ILE . 18.4 Cg_endo -74.99 168.33 25.07 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.487 1.782 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.6 t -86.87 137.77 32.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.067 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -39.45 -43.63 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.319 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' ASN . 1.9 tt0 -59.83 -66.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.0 m -41.96 -32.17 0.41 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.867 HD11 ' HG2' ' A' ' 28' ' ' PRO . 53.3 mt -80.81 -44.51 21.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 31' ' ' GLU . 89.3 m-20 -64.49 -40.79 96.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -63.86 -27.16 68.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.68 HD23 ' CE ' ' A' ' 39' ' ' MET . 9.9 mt -74.76 -54.58 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.575 HG21 ' OG1' ' A' ' 43' ' ' THR . 84.4 t -47.99 -37.11 6.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.245 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -55.35 -41.22 72.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.68 ' CE ' HD23 ' A' ' 36' ' ' LEU . 41.6 mtm -65.86 -31.14 71.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 110.968 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.519 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.02 53.74 0.23 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.717 ' CG ' HD13 ' A' ' 64' ' ' LEU . 12.4 m-85 -141.38 118.54 11.32 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 0.78 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -43.46 130.56 5.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.575 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.2 m -38.0 -53.62 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.421 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.9 t -48.65 -49.51 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 16.6 t -59.48 -39.82 80.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.3 -58.62 5.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.581 ' CD ' HD13 ' A' ' 33' ' ' ILE . 3.9 mt-10 -51.98 -51.19 58.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.017 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -63.58 -51.47 65.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -46.68 -60.19 2.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.547 HD13 ' HB2' ' A' ' 28' ' ' PRO . 2.8 mt -46.37 -65.95 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 50' ' ' LEU . 41.0 mtt180 -38.33 -41.93 0.67 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.017 HG23 ' O ' ' A' ' 48' ' ' ALA . 12.1 t -62.12 -74.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.619 ' HZ ' HG21 ' A' ' 63' ' ' THR . 21.3 m-85 -70.06 65.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 27.99 44.64 0.04 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 53' ' ' PHE . . . 49.94 65.62 2.78 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -124.43 95.62 4.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 0.785 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 49.3 t -40.17 -40.2 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -70.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.74 -48.28 2.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.554 ' HA ' ' CE2' ' A' ' 53' ' ' PHE . . . -58.35 -57.43 12.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.46 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -54.76 -58.39 7.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.55 -42.13 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.341 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.619 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 1.0 OUTLIER -71.52 -62.37 1.44 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.374 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.717 HD13 ' CG ' ' A' ' 41' ' ' PHE . 40.2 mt -49.49 -56.85 8.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -50.05 -66.94 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -41.4 -57.27 2.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.623 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' GLY . 28.6 m-70 -86.43 48.47 1.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.135 . . . . 0.0 109.621 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.75 -75.94 0.05 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' HIS . . . 179.86 37.54 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.5 p -129.85 132.45 46.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 mt -47.64 159.88 0.42 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.504 ' HG2' ' CD2' ' A' ' 75' ' ' LEU . 18.4 Cg_endo -74.98 138.96 23.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -74.97 -21.64 15.71 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.533 1.807 . . . . 0.0 110.988 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -63.54 -80.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 76' ' ' GLN . 2.6 pp -60.04 -46.53 89.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.553 ' N ' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -98.71 88.3 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -55.42 -47.95 75.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.31 158.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -112.62 -148.38 10.48 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.452 1.095 . . . . 0.0 111.013 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.23 7.48 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.811 . . . . 0.0 111.016 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 m 48.91 97.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.989 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.1 p -140.62 -58.06 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m 65.92 134.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 178.23 159.56 0.52 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.135 . . . . 0.0 110.021 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.51 130.05 2.44 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.57 134.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 110.017 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.16 148.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.035 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.8 -143.94 10.87 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.522 1.139 . . . . 0.0 111.047 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 63.7 93.65 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.437 0.728 . . . . 0.0 109.278 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 136.86 20.87 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.539 1.81 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -51.07 -43.03 60.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.562 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.4 mtp 60.62 148.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -144.86 -171.45 3.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 108.015 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 1.048 ' C ' HD22 ' A' ' 14' ' ' LEU . 6.4 t90 -118.11 70.84 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 107.972 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.048 HD22 ' C ' ' A' ' 13' ' ' TRP . 0.0 OUTLIER 28.69 -92.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.57 ' N ' ' O ' ' A' ' 13' ' ' TRP . 2.4 mt-30 159.0 131.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.411 ' OD1' ' CZ2' ' A' ' 13' ' ' TRP . 4.0 p-10 170.9 91.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.44 76.62 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 58.87 157.93 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.25 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.455 1.766 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -152.22 -59.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -168.67 155.52 7.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -138.14 -55.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.6 165.19 13.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.028 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.2 ptt180 -107.93 55.26 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -77.99 160.07 28.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.315 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -98.68 69.3 1.85 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.5 p -162.92 132.06 3.05 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 160.62 39.9 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.95 151.5 24.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -40.23 -53.7 2.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 34' ' ' ASN . 17.0 tt0 -52.02 -66.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.15 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.5 m -39.42 -34.36 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.589 HG23 ' HB3' ' A' ' 46' ' ' ALA . 22.2 mt -81.32 -46.71 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.457 ' N ' ' O ' ' A' ' 31' ' ' GLU . 61.1 m-20 -59.68 -39.86 85.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -65.5 -21.22 66.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 11.3 mt -82.23 -60.56 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.469 HG21 ' OG1' ' A' ' 43' ' ' THR . 69.9 t -40.31 -33.77 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.81 -59.63 3.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.489 ' SD ' ' HB1' ' A' ' 61' ' ' ALA . 69.1 mtm -51.74 -28.68 15.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 116.62 55.92 0.32 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.13 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.774 ' CD2' HD13 ' A' ' 64' ' ' LEU . 15.4 m-85 -135.15 115.75 13.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.788 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 43' ' ' THR . 5.1 m-20 -39.95 129.79 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.469 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.1 m -37.15 -57.1 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.7 t -44.6 -52.36 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 8.6 t -57.47 -40.18 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.589 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -63.38 -53.7 48.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -58.07 -51.24 70.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.298 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.013 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -62.37 -49.0 77.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 45' ' ' VAL . . . -48.12 -61.62 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' GLY . 2.6 mt -44.62 -67.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 50' ' ' LEU . 5.0 mtp180 -36.92 -43.85 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.013 HG23 ' O ' ' A' ' 48' ' ' ALA . 16.1 t -60.73 -75.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.806 ' HZ ' HG21 ' A' ' 63' ' ' THR . 24.3 m-85 -69.83 67.3 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.494 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 28.34 46.2 0.06 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 44.09 66.32 1.37 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' VAL . 1.9 m-20 -124.17 96.04 4.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 0.804 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' ASN . 43.8 t -40.01 -42.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -63.79 -72.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 58' ' ' GLN . 0.7 OUTLIER -39.02 -60.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.479 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -50.05 -64.65 0.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.489 ' HB1' ' SD ' ' A' ' 39' ' ' MET . . . -45.62 -57.06 4.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.78 -50.47 13.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.806 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 1.4 m -58.0 -65.93 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.774 HD13 ' CD2' ' A' ' 41' ' ' PHE . 26.7 mt -40.87 -62.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' HIS . . . -48.3 -52.09 22.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' ALA . 6.5 t-80 -38.99 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.626 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 69' ' ' GLY . 92.6 m-70 -71.57 58.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.594 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.07 -59.76 0.39 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 67' ' ' HIS . . . 168.05 40.4 0.02 OUTLIER Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.533 ' C ' HD23 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -135.01 159.71 40.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 0.71 . . . . 0.0 109.985 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.7 160.1 74.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.532 ' HG2' ' CD2' ' A' ' 75' ' ' LEU . 18.2 Cg_endo -75.02 128.86 11.8 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.479 1.779 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -74.99 -14.44 21.16 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.499 1.789 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.1 -63.04 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.76 ' C ' HD12 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -72.58 -44.15 62.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.719 ' N ' HD12 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -99.2 91.94 5.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -40.31 117.37 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 111.032 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.07 161.66 41.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.033 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.23 -145.44 4.13 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.518 1.137 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 59.37 5.19 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.4 m -104.66 80.35 1.65 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.9 t -98.73 153.19 18.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.441 1.088 . . . . 0.0 110.958 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.93 94.96 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.765 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.13 87.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.05 -152.78 33.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -132.16 109.81 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.31 94.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.57 70.42 0.49 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -178.43 124.54 0.26 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 136.03 19.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.81 . . . . 0.0 111.047 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -51.38 -39.61 57.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.657 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 34.7 mtp 56.11 164.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 16.0 m95 -99.81 -63.76 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 108.05 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 69.61 134.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 108.035 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.25 136.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -63.73 151.86 40.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -70.03 92.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -166.89 64.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -175.87 132.3 0.42 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' O ' ' N ' ' A' ' 21' ' ' ASN . 18.4 Cg_endo -74.97 -42.93 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 67.6 -70.98 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 19' ' ' PRO . 33.2 t-20 -86.19 100.02 11.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -122.74 92.52 3.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.4 m 41.05 81.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.014 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.79 126.95 7.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -127.03 147.84 50.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.36 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -173.51 91.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.7 p 60.16 158.23 0.11 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.969 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 171.94 17.34 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.6 m -102.85 144.59 30.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.98 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -40.42 -61.16 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 34' ' ' ASN . 13.7 mt-10 -39.67 -67.67 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.5 m -39.29 -39.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.987 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.81 HD13 ' CD ' ' A' ' 47' ' ' GLU . 56.2 mt -76.18 -46.24 34.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 31' ' ' GLU . 53.8 m-20 -59.65 -42.47 92.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -62.44 -36.48 82.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.706 HD23 ' CE ' ' A' ' 39' ' ' MET . 10.4 mt -69.37 -56.33 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.536 HG21 ' OG1' ' A' ' 43' ' ' THR . 70.1 t -45.4 -45.9 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -46.15 -53.75 9.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.706 ' CE ' HD23 ' A' ' 36' ' ' LEU . 57.5 mtm -52.19 -34.75 46.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.577 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 122.62 59.57 0.2 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.577 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 14.7 m-85 -143.51 120.37 11.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 0.783 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' THR . 10.0 m-20 -42.5 127.01 3.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.536 ' OG1' HG21 ' A' ' 37' ' ' VAL . 0.9 OUTLIER -36.41 -56.46 0.79 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.172 . . . . 0.0 110.397 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.7 t -44.69 -51.7 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.852 ' CG1' HD21 ' A' ' 64' ' ' LEU . 4.9 t -59.1 -41.34 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.04 -52.29 64.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.81 ' CD ' HD13 ' A' ' 33' ' ' ILE . 3.8 mt-10 -62.14 -47.73 83.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.806 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -63.0 -43.16 99.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 52' ' ' VAL . . . -56.67 -61.08 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.451 ' CD1' HG13 ' A' ' 33' ' ' ILE . 6.6 mt -45.39 -37.62 5.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.0 mtt-85 -73.04 -34.39 66.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 48' ' ' ALA . 76.9 t -58.94 -59.56 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.581 ' CD2' ' HB3' ' A' ' 59' ' ' LEU . 61.2 m-85 -77.35 -65.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.412 ' O ' ' OD1' ' A' ' 56' ' ' ASN . . . 146.65 65.26 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.02 19.55 11.58 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.751 ' ND2' HD22 ' A' ' 59' ' ' LEU . 3.1 m120 -88.54 81.9 7.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.752 . . . . 0.0 109.283 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' ASN . 23.7 t -38.97 -60.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -45.65 -66.93 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.751 HD22 ' ND2' ' A' ' 56' ' ' ASN . 7.0 mp -37.4 -57.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.571 ' HA ' ' CE1' ' A' ' 53' ' ' PHE . . . -55.77 -62.45 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 65' ' ' ALA . . . -44.2 -53.42 6.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.257 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -39.5 10.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.6 m -83.92 -61.29 1.86 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.421 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.852 HD21 ' CG1' ' A' ' 45' ' ' VAL . 24.6 mt -47.2 -26.57 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 61' ' ' ALA . . . -72.27 -71.76 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -43.5 -54.72 4.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.578 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -59.95 3.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.597 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 64' ' ' LEU . . . 97.69 58.75 0.98 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.559 1.162 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.543 ' O ' ' CB ' ' A' ' 70' ' ' SER . . . 66.84 107.53 0.02 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 69' ' ' GLY . 2.7 t 155.81 -22.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 0.765 . . . . 0.0 109.987 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.5 mt 60.68 158.14 0.11 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.538 ' HG2' HD22 ' A' ' 75' ' ' LEU . 18.4 Cg_endo -74.99 156.35 43.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.56 1.821 . . . . 0.0 111.025 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -16.31 20.28 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -172.96 117.81 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.734 HD21 ' CG1' ' A' ' 52' ' ' VAL . 2.4 pt? -140.43 -47.05 0.42 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.578 ' H ' HD23 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -143.71 170.8 15.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -38.36 96.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 76' ' ' GLN . 12.1 m -51.79 170.81 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.977 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -173.22 65.84 0.12 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -178.87 4.47 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.437 1.756 . . . . 0.0 110.989 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.51 119.84 7.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.958 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.6 m -47.16 142.65 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 111.055 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.26 127.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -141.15 147.06 37.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.434 1.084 . . . . 0.0 109.973 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.13 103.03 0.37 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.15 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 p -174.14 133.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.987 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -122.56 145.2 48.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.49 161.3 11.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -94.83 111.68 55.27 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -26.13 11.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 46.22 46.07 13.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.618 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 35.2 mtt -37.78 153.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.522 ' O ' ' CE3' ' A' ' 12' ' ' TRP . 59.1 p-90 -91.51 75.61 5.9 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.435 ' CD1' ' C ' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -78.9 -50.4 11.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.746 HD13 ' HB3' ' A' ' 18' ' ' ASP . 5.7 mt -139.6 -166.76 2.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -101.76 94.15 5.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 40.71 69.98 0.29 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 48.31 93.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.746 ' HB3' HD13 ' A' ' 14' ' ' LEU . 25.0 p-10 -41.31 101.34 0.24 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.67 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.69 -50.81 5.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.41 96.8 5.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -46.86 155.33 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.44 172.48 12.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.996 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -46.31 114.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.506 ' C ' ' O ' ' A' ' 24' ' ' ARG . 9.0 pt20 30.19 89.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.62 169.21 16.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.21 158.14 0.6 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 142.08 27.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 110.97 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.25 141.28 50.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 33' ' ' ILE . 1.2 tp60 -39.07 -58.78 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 34' ' ' ASN . 2.3 mt-10 -41.36 -64.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.4 m -41.95 -30.91 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.556 HG23 ' HB3' ' A' ' 46' ' ' ALA . 25.3 mt -87.11 -43.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 31' ' ' GLU . 88.5 m-20 -61.94 -36.43 81.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -69.65 -27.88 65.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.602 HD23 ' CE ' ' A' ' 39' ' ' MET . 11.7 mt -77.52 -59.06 2.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.503 HG21 ' OG1' ' A' ' 43' ' ' THR . 66.4 t -41.96 -40.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.39 -50.07 70.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.602 ' CE ' HD23 ' A' ' 36' ' ' LEU . 34.3 mtm -55.06 -33.3 62.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.583 ' O ' ' CD1' ' A' ' 41' ' ' PHE . . . 121.98 57.96 0.21 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.554 1.159 . . . . 0.0 111.003 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.583 ' CD1' ' O ' ' A' ' 40' ' ' GLY . 16.7 m-85 -145.66 115.29 7.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 43' ' ' THR . 10.2 m-20 -40.12 132.04 1.94 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.503 ' OG1' HG21 ' A' ' 37' ' ' VAL . 1.0 OUTLIER -37.25 -57.7 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.6 t -44.28 -52.11 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.51 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 5.2 t -58.42 -41.02 80.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.556 ' HB3' HG23 ' A' ' 33' ' ' ILE . . . -63.4 -58.02 8.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -51.11 -53.42 34.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.555 1.159 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.0 ' O ' HG23 ' A' ' 52' ' ' VAL . . . -62.54 -53.96 47.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 45' ' ' VAL . . . -41.73 -50.51 4.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 55' ' ' GLY . 3.6 mt -60.85 -53.93 51.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -51.17 -22.64 2.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.0 HG23 ' O ' ' A' ' 48' ' ' ALA . 4.9 t -82.21 -73.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.531 ' O ' ' C ' ' A' ' 54' ' ' GLY . 19.7 m-85 -72.19 67.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.531 ' C ' ' O ' ' A' ' 53' ' ' PHE . . . 25.58 58.53 0.07 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.534 1.146 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 50' ' ' LEU . . . 36.06 55.64 1.15 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 53' ' ' PHE . 40.7 m-20 -114.13 92.04 3.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 0.758 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.6 t -39.75 -47.5 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.86 -66.25 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.16 -57.27 3.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.526 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -50.96 -63.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.441 ' HB2' ' CE ' ' A' ' 39' ' ' MET . . . -44.24 -53.85 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -46.42 -37.6 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.526 HG21 ' HZ ' ' A' ' 53' ' ' PHE . 19.1 m -85.05 -62.02 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.567 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 84.2 mt -45.62 -28.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.38 -57.32 3.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -76.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.624 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -45.06 -57.77 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.639 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.41 -12.29 3.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.47 35.56 0.99 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -119.63 -3.41 10.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.736 . . . . 0.0 110.008 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 72' ' ' PRO . 7.7 mt 61.71 150.28 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.407 ' HG2' HD12 ' A' ' 75' ' ' LEU . 18.3 Cg_endo -75.05 119.71 5.75 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -14.01 21.17 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.55 1.816 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 75' ' ' LEU . 0.8 OUTLIER -132.76 33.47 3.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 74' ' ' ASP . 4.6 tt -37.67 -88.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.1 86.78 2.35 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.254 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 178.15 135.48 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.35 105.19 0.46 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 145.24 -83.38 0.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.499 1.124 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 91.44 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 0.0 110.976 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 t -174.34 123.86 0.3 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.039 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.67 -57.71 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.486 1.116 . . . . 0.0 110.959 179.962 . . . . . . . . 0 0 . 1 stop_ save_