data_1uff_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 1uff _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 ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.8 108.01 2.13 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.466 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 41.8 m-85 -135.71 155.71 49.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -121.17 116.51 25.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.5 116.26 4.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 3.4 mt -65.27 -61.22 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -115.55 156.61 45.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.66 3.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.474 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 9.9 t80 -110.7 144.76 39.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.474 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 4.8 tt0 -110.08 139.22 45.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -97.6 163.8 12.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.69 162.32 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 p -136.13 122.95 21.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.047 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -157.5 162.83 38.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -111.3 170.57 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.9 p -70.51 147.29 49.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.952 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.9 21.37 61.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -122.2 122.05 38.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.9 mm -61.62 139.33 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 mm -118.87 105.1 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -68.48 74.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 99.5 t -71.0 132.52 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -91.32 101.44 14.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.98 54.24 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.339 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -148.43 -48.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.9 m -56.84 129.31 40.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.0 t -119.31 149.15 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.64 -100.64 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 5.7 mm-40 -63.11 164.77 12.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.91 59.97 4.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.407 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 83.1 m95 -141.29 151.97 44.1 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 17.4 mt -127.9 130.4 48.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.508 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 38.2 t80 -107.7 134.32 50.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.04 -177.72 19.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -138.0 116.16 11.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.458 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 31.6 t80 -121.36 172.25 8.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 3.7 mt-30 -35.13 110.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.01 34.79 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 69.6 m-20 -139.02 110.73 7.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -136.26 116.89 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.96 -170.87 28.46 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.565 1.165 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.508 ' CE3' ' HB2' ' A' ' 44' ' ' TYR . 67.4 m95 -107.82 124.99 50.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 43' ' ' LEU . 42.8 p90 -119.21 160.79 39.91 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.467 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -74.98 134.29 17.67 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 56' ' ' CYS . 26.7 p -70.45 94.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 108.291 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 t30 173.69 -60.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.235 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.467 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 15.1 m-85 -44.72 -39.35 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.6 m -89.09 153.01 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -131.97 116.05 16.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.347 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -48.69 126.86 12.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -112.71 156.14 42.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 162.44 37.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -178.18 3.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.0 t -123.97 161.56 25.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.62 137.33 55.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.53 166.71 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.42 HD21 ' N ' ' A' ' 85' ' ' SER . 2.4 tt -137.52 156.59 47.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.42 ' N ' HD21 ' A' ' 84' ' ' LEU . 53.2 p -63.88 169.68 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -147.75 -177.57 5.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.456 ' CG2' ' N ' ' A' ' 88' ' ' SER . 0.6 OUTLIER 45.67 -171.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 110.389 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.456 ' N ' ' CG2' ' A' ' 87' ' ' THR . 34.2 p -177.68 175.5 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.31 100.39 1.35 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.05 4.62 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.0 p -135.34 174.38 10.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.038 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 t -150.29 75.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.029 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.11 133.59 6.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.477 ' CE2' ' HG3' ' A' ' 61' ' ' LYS . 28.1 m-85 -138.06 145.26 41.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.749 . . . . 0.0 110.962 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -101.9 126.81 48.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.557 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . . . -60.97 128.1 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.5 mt -79.04 -52.32 8.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -121.42 160.18 47.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 103.88 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . 64.0 t80 -105.43 136.28 45.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -104.58 151.16 23.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -112.15 153.0 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 ttm -98.22 155.73 17.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.94 114.86 21.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 10' ' ' ALA . 21.6 p90 -138.58 169.15 18.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -122.89 144.47 49.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.7 p -48.89 137.32 12.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.02 42.1 6.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.561 ' HB3' ' CE1' ' A' ' 47' ' ' PHE . 73.1 m-20 -139.89 123.97 17.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.6 mm -71.23 124.92 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.7 mt -112.08 125.95 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -82.1 93.38 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -78.96 139.72 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.43 75.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -41.73 -40.45 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -49.09 -58.26 5.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.8 m -50.85 124.23 10.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 p -116.13 160.42 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.95 -103.56 0.19 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.21 163.4 3.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -82.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.464 ' C ' ' CD1' ' A' ' 42' ' ' TRP . . . -92.02 62.17 2.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.464 ' CD1' ' C ' ' A' ' 41' ' ' GLY . 31.5 m95 -147.26 137.42 23.23 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 15.0 mt -115.91 121.86 43.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -87.71 127.43 35.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.44 167.76 24.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.0 p -123.14 115.68 22.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 28' ' ' ASP . 33.6 t80 -113.49 172.25 7.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.465 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.14 109.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.34 34.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' GLN . 73.8 m-20 -139.84 118.13 12.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.7 OUTLIER -135.52 117.4 15.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.958 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.48 -169.96 26.61 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 56.8 m95 -107.69 149.75 27.76 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 26.5 p90 -149.07 160.54 34.78 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.78 38.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.4 p -90.82 44.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.325 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -137.27 14.33 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -135.76 9.09 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.1 m -127.49 158.74 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.77 121.79 29.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.477 ' HG3' ' CE2' ' A' ' 8' ' ' TYR . 11.1 tttt -60.39 97.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.3 ptm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 111.015 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.16 149.07 39.59 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 173.27 14.8 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.9 t -115.52 124.81 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 p -94.59 146.89 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.1 p -115.75 169.15 9.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.22 162.55 13.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.2 m -141.92 164.62 29.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.7 172.79 7.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -156.36 152.75 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 p -129.19 174.96 9.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -151.48 105.2 0.28 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -179.41 4.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.1 p -151.12 174.24 13.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.49 169.21 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.13 124.67 3.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.59 ' CD1' ' CG2' ' A' ' 32' ' ' VAL . 8.5 m-85 -123.43 144.57 49.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.405 ' NE ' HD12 ' A' ' 29' ' ' ILE . 8.1 ttm180 -107.79 125.43 51.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.561 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . . . -62.62 118.82 8.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.6 mt -72.09 -42.81 65.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -128.79 157.54 75.12 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 101.03 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.521 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 1.6 t80 -107.8 149.47 28.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.427 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 3.5 tt0 -130.09 126.48 37.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -86.1 153.56 22.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.0 ttp -105.29 147.36 28.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.6 p -112.87 142.11 45.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 10' ' ' ALA . 6.5 p90 -164.23 170.12 16.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -119.22 158.24 26.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.0 p -60.78 140.14 57.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.947 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 9.22 60.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.112 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.601 ' CG ' ' CE1' ' A' ' 47' ' ' PHE . 1.1 t0 -97.21 135.38 39.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.454 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 36.6 mm -98.74 93.97 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.4 mt -78.75 143.68 12.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 29' ' ' ILE . 8.0 mp0 -99.63 89.36 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.59 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 73.9 t -74.34 120.59 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -93.91 76.28 4.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -41.37 -29.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -54.91 -53.64 52.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.2 m -50.97 130.32 25.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.439 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 p -90.3 156.66 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.84 -167.17 40.3 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -48.04 157.63 0.62 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -52.03 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -86.2 45.82 3.52 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 60.2 m95 -155.0 134.77 12.81 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.59 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 25.8 mt -123.76 120.79 33.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.547 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 18.5 t80 -83.89 133.89 34.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.08 161.42 27.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.0 p -120.57 116.61 25.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.739 . . . . 0.0 110.041 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CE1' ' CG ' ' A' ' 28' ' ' ASP . 46.6 t80 -128.32 172.12 11.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.507 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 3.6 mt-30 -35.17 110.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.8 33.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' GLN . 15.2 m-80 -133.36 112.7 11.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -139.27 107.6 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.74 -169.8 27.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.547 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 67.7 m95 -109.99 133.05 53.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.985 -1.116 . . . . 0.0 107.985 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 35.1 p90 -123.79 160.77 49.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 57' ' ' ASN . 18.4 Cg_endo -74.98 133.24 16.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.499 1.789 . . . . 0.0 111.059 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 28.0 p -69.56 68.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 55' ' ' PRO . 8.6 m-20 -150.55 -48.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.414 ' O ' ' CG1' ' A' ' 59' ' ' VAL . 84.9 m-85 -85.5 46.41 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.414 ' CG1' ' O ' ' A' ' 58' ' ' TYR . 18.9 m -155.7 164.63 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.86 95.66 2.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 8' ' ' TYR . 12.0 tttm -47.11 107.78 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.7 mtp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.971 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.8 mp -135.97 157.05 76.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.94 43.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.32 20.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t -166.27 119.94 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.7 p -173.33 170.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.22 127.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.952 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.0 tp -159.09 119.87 3.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.92 148.45 49.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.25 170.11 15.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.2 t -171.12 146.74 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.391 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.9 p -162.64 156.44 20.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.85 96.44 0.1 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 179.23 6.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.8 m -143.69 171.89 13.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.72 170.88 21.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.83 152.14 18.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.549 ' CD1' ' CG2' ' A' ' 32' ' ' VAL . 30.4 m-85 -139.74 145.67 38.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -104.73 128.64 52.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.96 129.41 38.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 60' ' ' GLU . 49.1 mt -81.79 -50.62 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -121.04 158.91 51.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 121.37 6.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CE2' ' O ' ' A' ' 15' ' ' GLU . 83.1 t80 -113.64 148.36 36.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.559 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -104.52 157.82 16.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.03 147.75 23.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.463 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 13.0 ttp -101.98 143.51 31.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.3 p -114.18 124.81 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 14' ' ' PHE . 19.1 p90 -143.75 168.66 19.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -126.45 137.1 53.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.3 p -40.23 129.97 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.11 46.85 2.99 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 53.3 m-20 -145.44 126.64 14.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.04 127.49 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.434 HG22 ' CE ' ' A' ' 22' ' ' MET . 50.2 mt -115.48 129.83 71.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.43 93.36 9.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.549 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 38.8 t -75.0 110.34 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -77.08 83.28 3.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.15 -43.42 20.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -49.21 -56.77 8.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.5 m -61.7 125.86 25.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.2 t -136.01 155.21 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.87 -100.08 0.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.521 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 1.3 mm-40 -60.43 163.92 7.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -81.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.533 1.807 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.8 55.47 4.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.521 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 83.0 m95 -145.77 146.08 31.07 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 23.3 mt -128.23 132.34 48.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.497 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 8.0 t80 -100.58 141.48 33.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -155.88 155.82 26.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 m -114.33 115.09 26.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 0.793 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 28' ' ' ASP . 27.0 t80 -114.17 172.22 7.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' PHE . 2.3 mt-30 -34.99 110.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.33 36.73 0.1 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -140.02 120.14 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -136.17 110.24 8.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.463 ' CA ' ' HB2' ' A' ' 22' ' ' MET . . . -155.48 -172.27 22.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.497 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 62.1 m95 -111.08 131.37 55.13 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 53.9 p90 -121.03 161.76 38.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.01 143.79 29.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 27.8 p -86.17 57.26 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.324 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 55' ' ' PRO . 17.5 p30 -167.02 31.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 1.6 m-85 -135.09 -42.07 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.421 HG21 ' CD2' ' A' ' 8' ' ' TYR . 15.4 m -77.52 171.14 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -134.63 100.19 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -40.52 101.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.2 ptm . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.9 mp -100.33 149.82 36.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 169.33 22.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 162.14 37.73 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.431 1.753 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.4 t -142.14 151.21 42.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.402 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.7 m -142.03 175.16 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 81.3 p -163.33 168.5 20.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.939 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.39 172.74 16.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.16 166.35 31.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.47 142.43 23.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.8 p -105.45 178.94 4.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.5 p -162.15 146.6 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.041 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -119.1 150.53 17.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -174.3 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.64 164.62 29.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.4 p -115.18 167.71 10.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.42 139.92 1.59 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.511 ' CD1' ' CG2' ' A' ' 32' ' ' VAL . 35.5 m-85 -143.2 144.39 32.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -102.35 128.71 48.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.527 ' HB1' ' CD1' ' A' ' 24' ' ' PHE . . . -61.92 116.08 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.2 mt -67.04 -50.83 60.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -126.03 160.94 54.44 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 113.57 3.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.032 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 6.8 t80 -124.95 131.37 53.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -99.41 140.22 33.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.85 177.43 4.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.37 160.68 20.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m -131.7 123.0 26.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.527 ' CD1' ' HB1' ' A' ' 10' ' ' ALA . 16.0 p90 -151.91 164.46 37.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -114.33 146.51 40.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.1 p -45.23 138.24 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.73 -30.69 9.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.79 127.33 31.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.4 mm -82.81 121.42 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 31' ' ' GLN . 10.1 mt -106.23 142.98 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.4 ' N ' HG22 ' A' ' 30' ' ' ILE . 40.5 mm-40 -103.97 93.09 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.511 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 73.9 t -73.51 152.09 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -119.7 76.9 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.11 -36.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -63.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.6 m -53.02 125.82 18.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.43 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 p -128.15 160.94 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.52 -100.76 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.531 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 0.5 OUTLIER -58.35 164.7 3.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.463 0.743 . . . . 0.0 110.29 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -87.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.768 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.38 57.15 5.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.531 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 81.1 m95 -144.72 137.33 26.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 42.2 mt -121.91 125.81 47.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -89.1 134.04 34.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.79 160.33 28.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 p -113.42 138.09 50.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.945 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' GLN . 24.3 t80 -145.49 172.23 13.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' ASN . 3.7 mt-30 -35.19 107.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 34.59 35.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' GLN . 73.3 m-20 -138.03 111.48 8.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -134.48 111.27 9.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.17 -170.0 25.21 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -110.72 143.53 41.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 35.1 p90 -134.94 161.27 64.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 57' ' ' ASN . 18.3 Cg_endo -75.02 128.08 11.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.3 p -65.34 81.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 108.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 55' ' ' PRO . 46.3 t30 -165.77 -43.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.476 ' O ' ' CG1' ' A' ' 59' ' ' VAL . 93.0 m-85 -87.33 45.53 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 58' ' ' TYR . 15.3 m -158.42 158.62 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.38 130.65 35.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -66.21 99.12 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.4 ptm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 41.4 mt -110.03 100.56 44.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 154.82 43.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.42 12.81 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.54 1.811 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.4 t -144.46 152.77 41.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.352 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.0 p -165.94 166.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.84 150.97 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.77 138.41 5.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.9 p -151.94 164.64 36.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -167.6 147.67 5.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 39.9 m -152.51 133.74 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.59 148.49 27.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.84 99.24 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.14 7.65 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.7 173.15 11.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.9 t -134.84 -57.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.44 141.57 13.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.491 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 18.7 m-85 -133.98 144.77 48.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.04 122.51 41.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HB1' ' CD2' ' A' ' 24' ' ' PHE . . . -63.62 116.69 5.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.32 -62.37 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -115.0 159.48 37.49 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.87 6.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.477 1.778 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.516 ' CD1' ' N ' ' A' ' 15' ' ' GLU . 24.0 t80 -124.1 156.98 35.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.516 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -133.43 143.06 48.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.83 167.75 14.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.1 ttm -102.8 161.1 14.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.8 p -130.49 123.9 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.413 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 17.4 p90 -153.63 168.72 25.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -124.63 145.85 49.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.3 p -48.15 141.45 6.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.47 40.58 8.31 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -140.24 129.67 24.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.8 mm -74.77 123.53 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.5 mt -111.14 121.69 64.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -79.69 92.61 5.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 110.247 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.491 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 26.6 t -78.39 148.01 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -112.99 105.05 13.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -81.12 -18.81 45.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.86 18.16 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.0 m -114.75 131.85 56.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 p -108.28 160.63 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.61 -100.78 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 6.8 mm-40 -80.49 164.61 50.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -85.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.92 58.02 4.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.424 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 81.5 m95 -140.13 149.3 42.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.554 ' O ' ' CE1' ' A' ' 54' ' ' PHE . 88.3 mt -123.6 127.82 48.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 12.1 t80 -99.25 139.89 34.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.5 166.39 31.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 m -121.26 115.23 22.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.022 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' OE1' ' A' ' 48' ' ' GLN . 30.1 t80 -119.01 167.27 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.596 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.0 mp0 -35.4 112.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.32 34.22 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 74.1 m-20 -141.67 110.67 6.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.789 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -135.17 115.39 13.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.73 -170.6 28.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 52.6 m95 -107.14 128.98 54.88 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.554 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 40.1 p90 -119.22 160.23 42.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.81 12.65 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.529 1.805 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 22.1 p -67.06 88.47 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.266 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -174.86 -41.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.419 ' O ' ' CG1' ' A' ' 59' ' ' VAL . 95.5 m-85 -87.87 41.52 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' A' ' 58' ' ' TYR . 12.6 m -156.84 131.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.7 110.98 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -50.16 100.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.5 ptm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 111.001 179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.83 142.4 37.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.68 42.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.14 9.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 p -132.6 157.49 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 p -119.94 150.05 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.75 156.05 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.05 176.4 12.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -177.45 173.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.22 162.64 18.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 55.1 m -157.52 124.47 5.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.05 172.88 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -160.21 156.96 28.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.12 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.05 2.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 84.1 p -140.08 170.73 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.0 p -106.66 167.28 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.69 126.87 1.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.623 ' CD1' ' CG2' ' A' ' 32' ' ' VAL . 16.8 m-85 -134.27 145.52 49.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -95.75 148.87 22.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.539 ' HB2' ' CD1' ' A' ' 24' ' ' PHE . . . -88.61 119.19 28.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.9 mt -70.55 -54.91 10.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -119.95 157.49 52.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 111.44 3.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . 7.9 t80 -121.25 122.62 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.3 146.49 24.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -100.05 171.15 8.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -121.32 176.2 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.1 m -131.3 131.59 43.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CD1' ' HB2' ' A' ' 10' ' ' ALA . 28.0 p90 -155.55 145.83 21.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -104.09 158.2 16.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.6 p -60.34 128.71 38.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.68 38.55 4.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -134.34 125.73 28.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.3 mm -72.87 119.62 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.422 HD13 ' CG ' ' A' ' 24' ' ' PHE . 8.1 mt -104.47 127.97 58.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -83.25 87.41 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.623 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 53.3 t -68.86 157.68 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.13 92.84 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -15.1 27.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -79.17 -66.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.0 m -70.66 126.5 29.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.5 p -144.33 151.52 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.23 -98.82 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.43 1.081 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.5 160.04 83.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -14.22 21.21 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.787 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -125.47 46.3 1.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.505 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 66.0 m95 -153.01 159.55 42.91 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 78.0 mt -142.92 136.11 28.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 5.6 t80 -105.3 139.7 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.84 -176.3 26.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.2 m -136.53 115.55 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 48' ' ' GLN . 24.4 t80 -115.72 172.24 7.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.448 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 3.6 mt-30 -35.13 109.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 34.93 34.82 0.05 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 77.3 m-20 -140.55 114.38 8.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -134.01 114.6 13.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.84 -173.44 30.5 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.404 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 53.2 m95 -105.15 132.68 51.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 35.4 p90 -123.35 161.04 47.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.504 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.03 132.15 15.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.5 p -71.74 94.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 108.285 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 170.29 -47.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.504 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.0 m-85 -60.08 -19.87 55.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -101.91 165.98 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.5 115.15 10.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -53.79 109.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.2 ptp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 111.035 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.5 142.7 45.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.56 42.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 174.62 12.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.7 p -109.87 168.02 9.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.3 m -112.8 154.88 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.72 169.55 16.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.67 166.63 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.9 p -117.28 167.43 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.67 175.68 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.6 t -143.9 150.23 38.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 p -111.94 172.19 7.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -122.3 154.83 16.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -177.55 3.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.43 170.45 22.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.6 p -119.91 161.92 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.02 119.27 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.476 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 12.4 m-85 -126.29 143.68 51.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -101.83 138.14 39.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.25 120.78 22.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.7 mt -70.2 -55.07 10.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -122.95 160.16 50.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.62 4.07 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.508 1.793 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 15' ' ' GLU . 81.5 t80 -115.13 148.02 39.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.59 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -107.23 156.94 18.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -117.6 157.11 26.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.3 ttp -114.86 151.73 33.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.44 131.88 56.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -151.16 173.15 14.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -126.09 147.77 49.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 109.343 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.6 p -52.71 132.36 36.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.18 41.72 4.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -140.04 127.15 20.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.764 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.6 mm -75.85 119.65 24.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -107.44 134.01 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -90.9 94.15 9.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.476 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 37.7 t -78.69 152.35 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -123.64 92.51 3.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.59 55.76 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -149.02 -47.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.3 m -56.07 123.96 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.33 148.14 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.409 ' HA3' ' CH2' ' A' ' 53' ' ' TRP . . . 167.25 178.51 39.58 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -40.71 160.15 0.14 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.539 1.81 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.51 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -81.53 50.5 4.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.51 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 72.8 m95 -154.32 122.75 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 16.9 mt -110.86 118.54 36.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.566 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 42.3 t80 -82.12 115.35 21.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.81 157.09 19.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -115.85 115.33 26.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 26.9 t80 -117.69 172.28 7.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' ASN . 2.6 mt-30 -35.73 112.51 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.68 33.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.6 m-80 -137.36 117.55 13.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -135.72 112.4 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.76 -169.87 27.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 44' ' ' TYR . 39.4 m95 -113.33 137.92 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 43' ' ' LEU . 28.3 p90 -127.99 160.47 61.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.72 14.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.38 94.5 2.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.314 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.6 t30 177.45 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -83.54 3.99 30.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.18 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.0 m -117.44 158.68 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.41 101.12 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -47.65 122.67 5.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 111.011 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 pp -134.37 154.31 79.79 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.11 36.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 176.35 10.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 p -125.39 178.12 5.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.42 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.8 p -160.91 129.49 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.32 145.64 41.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.5 -166.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.86 178.27 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -156.44 168.49 27.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 77.8 p -139.34 -174.46 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.88 170.61 17.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -138.4 111.14 0.78 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -178.97 4.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 t -134.41 174.39 10.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.0 p -128.42 172.0 11.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.07 127.76 7.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.466 ' CD1' ' CG2' ' A' ' 32' ' ' VAL . 37.7 m-85 -117.61 147.51 42.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.83 132.68 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.56 120.95 20.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.452 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 48.6 mt -69.67 -51.34 35.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -126.25 162.23 47.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 128.4 11.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 46.9 t80 -126.19 154.9 42.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.521 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 2.8 mp0 -125.7 150.78 47.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -117.19 168.86 9.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.0 ttp -108.69 145.58 34.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.92 113.3 21.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -130.8 168.56 17.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -122.22 147.09 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.7 p -50.37 136.35 20.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.27 46.81 5.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -142.3 128.89 20.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mm -74.61 122.76 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.3 mt -110.6 115.74 50.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.405 ' OE1' ' N ' ' A' ' 31' ' ' GLN . 1.5 mp0 -74.72 87.5 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.466 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 24.6 t -66.17 137.66 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.372 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -101.62 98.9 9.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.69 49.22 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -138.61 -51.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.3 m -56.51 128.89 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.45 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 38' ' ' GLY . 13.8 p -83.87 156.09 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.363 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.411 ' N ' HG22 ' A' ' 37' ' ' VAL . . . 170.97 -168.85 41.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -44.32 151.56 0.56 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.244 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -39.24 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -95.05 50.1 1.94 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 68.7 m95 -156.02 153.51 29.58 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.587 ' O ' ' CE1' ' A' ' 54' ' ' PHE . 17.8 mt -134.55 127.01 30.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 21.5 t80 -101.67 128.19 48.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.63 160.13 27.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -112.15 116.18 30.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.028 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' GLN . 26.5 t80 -113.6 172.21 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ASN . 2.2 mt-30 -34.96 108.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 34.88 34.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' GLN . 78.4 m-20 -139.39 121.12 15.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -136.01 117.04 14.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -158.76 -171.97 25.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 66.2 m95 -111.84 124.67 52.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 48.4 p90 -115.13 161.92 26.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.5 Cg_endo -74.99 135.17 18.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.783 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.426 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 27.1 p -78.71 91.82 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 108.309 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.426 ' OD1' ' C ' ' A' ' 56' ' ' CYS . 5.1 p-10 164.32 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 2.8 m-85 -77.0 -16.66 59.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.9 m -98.18 165.65 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.452 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -137.06 110.75 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -53.56 101.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.5 ptm . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.02 145.65 98.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.28 16.69 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 127.37 10.62 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.4 t -129.38 142.18 50.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.442 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 p -171.82 150.97 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.32 128.15 47.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.38 155.85 22.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.2 141.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -163.15 168.8 20.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.1 t -155.59 159.22 39.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.0 p -116.42 167.52 10.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -150.59 97.96 0.18 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.13 10.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.81 173.9 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t -172.75 167.89 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.05 113.62 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -121.35 149.26 43.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.29 120.69 34.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.09 124.74 17.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.5 mt -81.88 -43.12 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -134.5 155.74 79.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 105.76 2.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.789 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -105.91 149.98 26.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -125.6 146.93 49.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.444 ' HB2' ' CB ' ' A' ' 21' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.444 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 4.6 mt-10 -135.4 161.59 35.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -103.44 160.67 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.43 112.66 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -133.77 176.09 8.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -126.53 148.64 49.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.73 156.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.012 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.17 39.72 92.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.491 1.12 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -141.9 121.23 13.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 0.807 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.7 mm -63.52 131.73 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' VAL . 5.0 mm -110.87 107.52 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -67.02 74.37 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' ILE . 93.7 t -75.2 136.99 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.36 110.59 22.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -87.98 46.4 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -137.93 -56.06 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.0 m -53.26 125.94 19.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.2 p -103.09 160.56 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.98 -100.8 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.56 1.163 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.537 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 1.5 mm-40 -71.1 163.95 61.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -85.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.82 59.3 4.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.537 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 85.1 m95 -143.05 138.23 29.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.592 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 81.9 mt -114.93 124.2 51.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.444 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 25.4 t80 -97.02 132.64 42.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.65 179.71 24.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.5 p -130.32 118.14 20.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.446 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 31.6 t80 -122.18 172.32 8.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.446 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 1.7 mt-30 -35.22 109.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.36 34.49 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.143 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 69.6 m-20 -138.1 112.95 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -134.67 110.47 9.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.49 -169.96 27.71 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.444 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 32.2 m95 -107.38 149.2 28.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 53.9 p90 -143.64 161.2 47.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.04 21.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.536 1.808 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.5 p -78.64 90.68 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.303 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 4.7 p-10 -172.44 -41.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -85.23 48.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.9 m -154.86 160.47 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -135.75 104.75 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -47.95 103.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 ptp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -138.91 154.78 73.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.83 17.56 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.455 1.766 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.25 35.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.7 m -108.3 140.97 40.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.5 m -54.53 179.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.8 p -120.53 170.89 8.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.98 128.12 20.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.3 p -115.61 170.19 8.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -148.75 177.86 9.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -166.77 166.88 15.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.5 p -153.35 174.27 14.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -156.53 152.45 23.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -172.73 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 110.958 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 88.4 p -149.98 161.49 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 t -131.08 169.04 16.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.56 127.0 3.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 61' ' ' LYS . 20.3 m-85 -134.83 144.61 47.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.28 134.01 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.38 123.32 25.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.419 ' CD1' ' HB3' ' A' ' 60' ' ' GLU . 20.3 mt -74.78 -47.92 28.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -123.07 159.83 52.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 120.5 6.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -113.25 168.09 10.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -144.66 154.95 43.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -99.65 149.32 23.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.482 ' CE ' ' O ' ' A' ' 45' ' ' GLY . 0.7 OUTLIER -101.47 139.43 37.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.4 p -114.27 133.78 55.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -149.33 170.53 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -118.71 147.97 43.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.7 p -53.62 130.18 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.33 43.98 3.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -140.09 128.18 22.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.775 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mm -77.51 119.18 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.0 mt -107.49 119.46 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -77.39 86.53 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.538 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 64.3 t -68.74 140.13 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.16 94.84 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.71 -29.64 70.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -54.43 43.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.8 m -55.45 127.59 30.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -88.37 157.79 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.489 ' HA3' ' CH2' ' A' ' 53' ' ' TRP . . . 174.44 -172.92 45.78 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -43.13 164.65 0.13 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -61.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.578 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -83.47 47.75 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 71.2 m95 -156.65 126.87 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.496 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 7.4 mt -119.5 133.36 55.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 17.0 t80 -89.58 132.09 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' CE ' ' A' ' 22' ' ' MET . . . -143.01 149.62 21.51 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.5 p -107.74 127.16 53.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 48' ' ' GLN . 23.0 t80 -129.66 172.12 11.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ASN . 1.8 mt-30 -35.36 111.47 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.41 34.29 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.2 m-80 -137.96 115.98 11.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 2.8 m-85 -135.54 111.43 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.94 -173.15 32.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.527 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 77.5 m95 -102.54 133.14 48.0 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.496 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 7.4 p90 -123.91 160.64 50.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -74.98 127.95 11.11 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.3 p -63.76 -23.63 67.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 108.346 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.434 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 5.7 p-10 -84.18 54.84 3.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.556 ' CD2' ' HG2' ' A' ' 55' ' ' PRO . 1.8 m-85 -163.47 -43.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.3 m -82.04 161.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.419 ' HB3' ' CD1' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -122.47 121.91 37.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 8' ' ' TYR . 13.6 tttt -62.4 98.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 17.4 ptm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.471 ' CD1' ' HD2' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -102.47 139.17 19.97 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 78' ' ' LEU . 18.3 Cg_endo -74.97 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t -130.06 145.39 51.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.17 125.3 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.2 p -133.55 172.05 13.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.4 ' CD2' ' C ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -151.29 163.17 39.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 60.8 p -141.55 -178.87 5.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -139.27 173.22 11.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.5 m -141.69 131.51 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.366 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.25 173.02 6.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -139.6 102.06 0.33 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.31 8.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.75 171.7 12.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.98 168.22 13.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.95 106.04 3.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.519 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 19.4 m-85 -122.68 170.15 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -127.38 105.87 8.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.64 122.88 7.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 60' ' ' GLU . 69.8 mt -80.88 -48.87 11.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -126.45 154.8 75.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 108.3 2.69 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.445 1.761 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CE2' ' O ' ' A' ' 15' ' ' GLU . 52.9 t80 -95.34 167.88 11.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.112 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.456 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -127.56 163.66 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -117.07 153.16 33.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 110.33 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.44 162.84 14.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.1 p -122.77 126.27 47.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.994 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.411 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 15.1 p90 -142.08 145.1 33.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -100.19 140.42 34.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.4 p -40.61 151.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.033 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.68 -53.44 4.54 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -44.86 126.13 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.763 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.9 mm -71.36 125.77 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.4 mm -100.35 106.74 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -70.64 73.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.519 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 70.1 t -72.33 139.67 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.14 90.69 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.1 -26.46 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -57.34 -56.93 15.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.4 HG22 ' CD2' ' A' ' 44' ' ' TYR . 32.9 m -62.89 125.81 25.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -135.24 156.07 38.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.31 -102.08 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -45.96 163.43 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -88.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.93 57.35 4.83 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -147.81 154.65 40.75 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 54' ' ' PHE . 17.4 mt -138.52 131.2 29.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.4 ' CD2' HG22 ' A' ' 36' ' ' THR . 52.8 t80 -98.69 135.68 39.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.82 -176.89 19.21 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -134.23 114.99 13.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.055 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' OE1' ' A' ' 48' ' ' GLN . 30.8 t80 -119.06 167.71 11.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.596 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.0 mt-30 -35.05 111.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.2 34.43 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' GLN . 75.5 m-20 -141.76 111.32 6.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -137.39 115.82 11.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.5 -171.57 29.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -98.5 123.88 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 55.1 p90 -121.13 160.79 43.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.01 137.29 21.5 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 23.3 p -68.34 -29.16 67.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 108.278 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -79.74 55.08 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.568 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 1.0 OUTLIER -159.35 -43.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.7 m -89.35 171.38 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -141.74 122.6 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.088 . . . . 0.0 110.258 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -66.78 97.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.7 ptm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.05 159.58 29.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 152.98 41.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.07 21.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 110.993 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.6 t -114.55 150.88 34.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.7 p -83.63 157.71 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.9 169.93 16.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.959 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 tp -121.98 170.93 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.9 p -133.49 167.4 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.78 175.34 9.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 73.3 p -142.04 178.44 7.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.0 p -153.21 172.46 16.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -141.54 153.12 23.88 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.561 1.163 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -177.14 3.25 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.07 165.51 35.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.5 p -115.53 168.22 10.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.62 142.65 13.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.559 ' CD1' ' CG2' ' A' ' 32' ' ' VAL . 19.2 m-85 -134.49 143.63 47.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -97.85 143.67 28.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.526 ' HB2' ' CD2' ' A' ' 24' ' ' PHE . . . -80.96 121.46 26.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -75.53 -48.6 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -127.95 161.99 52.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 120.41 6.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -99.5 167.74 10.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -133.5 134.23 43.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.432 ' CB ' ' HB3' ' A' ' 21' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HB3' ' CB ' ' A' ' 16' ' ' ALA . 11.4 mt-10 -85.82 146.12 26.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.459 ' CG ' ' HB3' ' A' ' 50' ' ' ASN . 2.7 ttm -102.64 150.09 23.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.3 p -115.47 132.33 56.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.526 ' CD2' ' HB2' ' A' ' 10' ' ' ALA . 14.3 p90 -152.16 156.16 39.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -113.61 139.27 49.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.7 p -40.36 125.2 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.77 44.9 2.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 80.7 m-20 -141.48 120.22 12.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.8 mm -71.46 124.4 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.7 mt -112.07 134.59 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -92.44 93.34 8.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.329 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.559 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 46.2 t -74.91 125.27 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.5 79.0 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -47.13 -32.31 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -55.8 -60.36 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.8 m -50.84 124.33 10.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -114.42 162.55 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.58 -99.92 0.15 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.42 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 5.0 mm-40 -69.35 165.09 43.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.415 ' CD ' ' CD ' ' A' ' 39' ' ' GLU . 18.4 Cg_endo -75.02 -85.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.43 57.23 5.03 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.508 1.13 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.42 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 90.4 m95 -143.67 125.75 15.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.589 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 23.6 mt -109.12 116.93 32.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -83.95 116.0 22.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.03 158.67 16.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.3 p -117.89 115.65 25.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.79 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 28' ' ' ASP . 21.2 t80 -118.8 172.15 7.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' PHE . 2.4 mt-30 -35.16 110.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.52 36.39 0.1 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.459 ' HB3' ' CG ' ' A' ' 22' ' ' MET . 3.2 m-80 -138.92 119.43 13.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 0.733 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -137.2 114.2 10.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.63 -169.88 27.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -112.04 152.32 28.32 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.589 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 31.4 p90 -145.47 160.43 45.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 130.02 12.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 44.7 t -71.75 77.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -160.22 -45.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -86.5 43.35 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 m -151.02 140.5 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.65 94.42 4.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -41.65 132.21 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.1 tt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.09 165.78 16.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 124.53 8.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 171.36 18.46 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.3 p -95.17 174.25 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 p -132.83 168.29 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.2 p -160.49 161.75 32.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.47 177.97 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.75 171.35 18.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -135.11 164.25 28.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 38.7 m -149.04 125.26 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.7 p -96.14 174.95 6.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -154.06 154.07 25.26 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -171.94 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.7 p -145.63 166.59 25.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m -144.21 169.46 17.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 110.949 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.93 118.0 0.97 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.556 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 18.1 m-85 -125.52 166.6 16.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ttp85 -116.77 118.38 32.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.8 132.6 31.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 59' ' ' VAL . 15.1 mt -87.87 -44.54 10.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -143.15 156.42 61.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 101.77 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.596 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 2.3 t80 -104.67 138.86 40.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.519 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 4.1 tt0 -91.74 141.33 28.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.245 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.596 ' OE2' ' CZ ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -93.29 157.44 16.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.416 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 2.0 ttm -99.46 158.15 15.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 76.1 p -123.98 131.32 53.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -155.56 173.77 16.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -130.13 145.45 51.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -40.34 158.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.44 44.56 97.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.601 ' OD1' ' CE1' ' A' ' 47' ' ' PHE . 2.1 t0 -134.64 139.37 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.452 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 42.6 mm -86.49 116.31 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.4 mm -101.21 110.45 28.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -70.05 73.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.556 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 61.4 t -74.27 141.16 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -105.97 104.99 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.07 52.71 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.42 -51.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 m -51.27 128.58 22.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 38' ' ' GLY . 2.7 p -106.29 146.08 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 37' ' ' VAL . . . -179.23 -100.87 0.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.575 1.172 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 5.5 mm-40 -70.57 161.64 75.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 0.747 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -76.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.42 62.48 2.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.425 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 85.6 m95 -147.49 140.91 25.36 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 93.7 mt -119.12 119.44 34.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -92.82 126.77 38.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.37 -168.56 11.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.2 p -144.52 115.29 7.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CE1' ' OD1' ' A' ' 28' ' ' ASP . 45.6 t80 -120.67 172.32 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.496 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.48 111.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.84 33.18 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' GLN . 5.8 m-80 -137.08 113.56 10.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -135.8 109.4 7.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.97 -170.16 26.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -108.41 146.74 32.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 45.6 p90 -140.48 160.72 58.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.47 14.32 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.6 p -70.73 64.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 108.337 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -143.27 -47.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.506 ' O ' ' CG1' ' A' ' 59' ' ' VAL . 88.8 m-85 -86.48 43.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 58' ' ' TYR . 19.5 m -158.7 137.13 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.53 123.47 50.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -69.83 106.29 3.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.3 ptp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 111.013 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.18 143.85 29.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.5 43.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.7 9.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -160.81 119.77 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 30.8 m -125.97 177.86 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.58 170.99 14.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.77 151.51 22.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 p -157.74 163.99 37.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.66 174.95 9.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.7 t -173.05 136.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.7 t -128.35 173.65 10.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.68 116.94 0.75 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.534 1.147 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 177.62 8.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.6 p -137.8 171.47 14.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.7 p -145.6 171.04 15.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.555 1.16 . . . . 0.0 111.009 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.407 ' HB3' ' CE1' ' A' ' 8' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.01 94.15 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.517 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 27.2 m-85 -87.83 169.77 11.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.428 ' CB ' ' HG3' ' A' ' 62' ' ' MET . 44.8 ttp180 -128.48 114.65 17.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HB2' ' CD1' ' A' ' 24' ' ' PHE . . . -53.9 119.67 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.405 HD23 ' CB ' ' A' ' 60' ' ' GLU . 31.4 mt -77.78 -46.21 22.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -127.29 154.19 77.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.3 2.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.451 ' HB2' ' CE2' ' A' ' 58' ' ' TYR . 6.0 t80 -114.92 124.94 52.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.53 157.42 16.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.934 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.78 156.98 20.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.5 ttp -91.44 151.65 20.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 p -124.99 133.18 53.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.535 ' CD1' ' HB2' ' A' ' 10' ' ' ALA . 8.7 p90 -162.85 158.64 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -115.66 150.23 37.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -50.77 159.84 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.55 26.65 74.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -133.56 121.36 22.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 mm -63.13 138.25 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mm -116.72 108.33 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -69.8 73.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.517 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 84.9 t -70.14 139.73 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.27 105.73 16.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -83.39 51.53 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -143.71 -47.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.6 m -63.59 132.52 51.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.9 t -118.93 148.09 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.425 ' HA3' ' CH2' ' A' ' 53' ' ' TRP . . . -166.76 -100.98 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.601 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -75.23 163.72 65.96 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -81.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.65 55.25 4.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.601 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 80.4 m95 -145.61 153.24 40.83 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.543 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 13.7 mt -132.86 123.99 27.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.458 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 25.7 t80 -96.32 126.61 41.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.15 -175.57 14.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 m -133.71 115.31 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 0.0 109.988 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 33.7 t80 -119.58 172.42 7.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.467 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 3.8 mt-30 -35.04 108.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.86 33.42 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' GLN . 65.3 m-20 -136.86 114.24 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -135.09 109.84 8.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.26 -169.89 24.14 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.458 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 72.7 m95 -101.25 124.97 47.79 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 24.0 p90 -120.85 160.7 43.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.03 131.19 13.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 18.0 p -65.68 -22.88 66.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 108.308 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.411 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 7.2 p-10 -84.53 53.55 2.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.551 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 1.4 m-85 -159.96 -43.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 m -87.8 156.7 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.405 ' CB ' HD23 ' A' ' 11' ' ' LEU . 1.2 tt0 -124.4 130.2 52.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -69.82 115.25 8.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.428 ' HG3' ' CB ' ' A' ' 9' ' ' ARG . 2.0 mtm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.28 128.21 93.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 152.52 40.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.808 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -166.11 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.7 t -138.77 141.62 38.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.411 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.7 t -134.51 139.51 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 m -123.07 163.69 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 tp -144.26 100.55 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.0 p -72.35 173.38 8.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.966 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.33 158.68 44.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.8 p -118.95 166.3 13.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.3 m -167.93 171.44 9.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.044 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.55 156.97 21.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -174.57 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.3 p -161.23 164.86 30.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.29 165.96 10.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.36 131.8 2.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.437 ' CD1' HG23 ' A' ' 32' ' ' VAL . 18.9 m-85 -133.13 143.8 49.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -99.24 136.45 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.09 120.12 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.415 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 33.2 mt -71.69 -55.86 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -125.71 158.39 65.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.3 12.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 3.2 t80 -139.61 140.57 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.477 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -102.47 143.17 32.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' CB ' ' HB3' ' A' ' 21' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.418 ' HB3' ' CB ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -99.74 157.61 16.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.4 ttp -107.62 142.89 36.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.5 p -113.23 134.41 54.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -155.76 -179.74 8.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -135.91 147.54 48.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.0 p -52.96 134.19 37.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.23 35.58 5.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.532 ' HB3' ' CE1' ' A' ' 47' ' ' PHE . 17.6 m-20 -137.61 122.86 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.3 mm -73.59 120.01 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.7 mt -106.11 119.66 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -78.85 91.31 4.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.437 HG23 ' CD1' ' A' ' 8' ' ' TYR . 76.8 t -77.3 150.37 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -117.07 82.74 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -43.4 -45.76 6.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -42.54 -61.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.7 m -53.34 127.11 23.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 p -127.63 161.61 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.28 -99.56 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.51 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -68.15 165.04 36.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 110.258 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -78.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -86.87 59.02 4.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.51 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 81.8 m95 -153.42 125.41 7.87 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 15.1 mt -114.18 135.63 53.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.597 ' CD1' ' CD1' ' A' ' 53' ' ' TRP . 27.9 t80 -99.73 137.97 37.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.57 -179.56 28.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.1 m -129.48 115.9 18.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 28' ' ' ASP . 42.5 t80 -115.31 172.22 7.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.495 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.05 109.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.45 36.14 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.2 m-80 -140.13 119.87 13.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -134.57 109.89 8.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.76 -170.34 25.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.597 ' CD1' ' CD1' ' A' ' 44' ' ' TYR . 20.3 m95 -111.13 147.03 35.77 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 46.6 p90 -136.44 160.99 64.64 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 135.63 19.23 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.0 t -79.14 94.41 5.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 108.321 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 4.8 p-10 -178.93 -39.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -90.19 23.65 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.0 m -131.33 154.57 40.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -133.57 103.32 5.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -50.79 115.06 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.7 mtm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 111.051 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 mt -118.23 115.09 36.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 160.25 40.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.543 1.812 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -178.19 4.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.7 m -156.02 136.35 13.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.3 m -125.79 176.59 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.7 p -162.09 171.99 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.484 ' O ' ' CD1' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -174.55 146.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.89 173.68 11.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -161.92 176.05 11.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.4 t -163.32 165.54 24.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 110.391 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.6 p -168.42 171.09 9.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.59 101.78 0.18 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.493 1.12 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -179.36 4.91 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.512 1.796 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.0 t -141.42 175.19 9.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.7 172.09 14.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.55 76.88 1.0 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.574 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 18.8 m-85 -83.99 166.51 17.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.418 ' HB3' ' CG ' ' A' ' 60' ' ' GLU . 5.3 ttp85 -118.4 129.24 55.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.4 120.68 16.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 60' ' ' GLU . 14.0 mt -80.65 -46.15 16.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -127.96 155.16 78.12 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 103.15 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.787 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -85.81 164.93 17.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -137.17 115.26 11.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.08 . . . . 0.0 110.311 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.0 t0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.42 154.86 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.7 ttm -98.37 157.28 16.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.0 p -133.96 125.8 28.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -147.28 167.31 24.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -109.65 158.02 18.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.9 p -67.49 136.87 55.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.085 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.12 30.68 12.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.599 ' OD1' ' CE1' ' A' ' 47' ' ' PHE . 13.2 t70 -123.04 161.58 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.8 mm -100.58 115.56 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mm -97.32 107.03 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -69.45 73.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.574 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 92.2 t -70.04 127.14 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.32 88.37 4.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.64 -19.23 9.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -58.16 -56.99 14.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.2 m -63.91 131.6 48.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.398 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.14 155.22 36.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.5 -103.24 0.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 42' ' ' TRP . 0.7 OUTLIER -50.44 161.43 0.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.267 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -85.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.037 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.22 59.42 4.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.465 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 64.4 m95 -143.81 152.49 41.27 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 20.9 mt -133.36 115.06 14.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -84.48 134.65 34.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.81 167.95 27.03 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -125.33 115.36 20.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.599 ' CE1' ' OD1' ' A' ' 28' ' ' ASP . 45.0 t80 -120.38 172.19 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.498 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.28 110.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.75 33.85 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.4 m-80 -135.53 113.49 11.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 0.791 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -136.96 109.23 7.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.71 -169.85 27.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -104.29 139.03 39.86 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 7.0 p90 -135.11 161.05 65.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.04 131.02 13.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.552 1.817 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.417 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . 25.2 p -64.92 -19.44 65.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.273 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.503 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 8.2 p30 -84.63 51.19 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 2.8 m-85 -159.46 -42.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.473 HG23 ' CE1' ' A' ' 54' ' ' PHE . 30.8 m -91.94 157.02 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.431 ' HB3' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -120.92 143.08 49.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -80.55 112.47 17.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.6 mtp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mp -139.15 154.66 72.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -165.37 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 m -114.42 161.3 18.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.7 m -89.14 176.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.42 177.64 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 tp -151.48 100.52 2.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.37 166.73 12.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -146.3 169.04 19.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.3 p -146.12 -179.13 6.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 179.35 174.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.42 156.35 27.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -169.3 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.63 -58.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.958 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.11 161.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.143 . . . . 0.0 110.961 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.74 89.4 0.15 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.681 ' CD1' ' CG2' ' A' ' 32' ' ' VAL . 6.1 m-85 -80.63 143.8 32.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -108.44 122.28 46.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' ' 24' ' ' PHE . . . -68.67 123.9 22.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 33.0 mt -79.55 -51.63 9.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -120.66 160.7 43.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.0 11.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 39.1 t80 -126.29 156.31 40.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.592 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -126.19 148.97 49.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.485 ' OE2' ' CZ ' ' A' ' 14' ' ' PHE . 2.9 mt-10 -85.7 167.11 15.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.463 ' CE ' HG23 ' A' ' 30' ' ' ILE . 1.3 ttp -109.23 145.23 36.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 p -114.25 118.2 33.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.503 ' CD1' ' HB1' ' A' ' 10' ' ' ALA . 31.7 p90 -141.42 164.53 29.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -121.16 141.38 50.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 p -40.57 139.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.6 44.99 7.04 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -141.14 126.7 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.2 mm -79.72 125.32 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.463 HG23 ' CE ' ' A' ' 22' ' ' MET . 26.1 mt -110.9 127.06 68.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -81.51 87.35 6.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.681 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 24.2 t -67.92 122.03 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.12 79.75 4.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -47.66 -30.39 3.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -54.58 -61.39 2.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.561 ' CG2' ' CD2' ' A' ' 44' ' ' TYR . 15.9 m -50.81 130.18 24.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.383 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 p -122.55 162.35 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.78 -99.22 0.14 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.418 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 6.5 mm-40 -69.36 162.15 68.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.784 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -79.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.65 60.28 3.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.418 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 89.6 m95 -147.39 121.87 9.73 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -94.37 146.78 23.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.561 ' CD2' ' CG2' ' A' ' 36' ' ' THR . 33.5 t80 -127.25 110.2 12.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.6 176.2 18.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.6 p -119.11 114.9 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.451 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 29.1 t80 -114.32 172.27 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.451 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.0 mt-30 -34.94 105.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 36.05 34.47 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 76.0 m-20 -141.12 123.42 15.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -139.62 117.69 11.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.73 -169.78 27.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -106.1 174.47 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 43' ' ' LEU . 4.6 p90 -174.8 159.74 2.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' ASN . 18.3 Cg_endo -75.01 128.72 11.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.435 1.755 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 29.2 p -67.58 72.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 108.271 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' PRO . 62.4 t30 -153.04 -46.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.437 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 69.7 m-85 -73.31 -1.71 19.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.408 ' CG2' ' CE1' ' A' ' 54' ' ' PHE . 35.3 m -122.44 -178.19 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -160.16 102.49 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -45.45 130.38 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -113.74 130.5 23.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.56 18.07 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 132.51 15.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.3 t -163.14 153.39 16.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.6 p -154.4 135.48 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 m -123.71 154.66 39.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.84 168.68 18.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.62 165.03 33.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -128.38 172.92 10.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.2 t -161.39 163.98 30.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.68 173.16 10.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 110.046 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.21 152.6 23.91 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.61 2.97 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.52 162.96 6.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.2 158.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.9 137.53 6.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.561 ' CD1' HG22 ' A' ' 32' ' ' VAL . 6.7 m-85 -124.15 140.22 53.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.6 ttp85 -96.57 126.19 41.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.61 120.75 13.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 mt -78.66 -49.11 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -125.66 156.01 71.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.445 1.76 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.455 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 4.6 t80 -119.42 139.08 52.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.4 149.54 39.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.32 165.04 11.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.9 ttm -99.54 156.07 17.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 p -119.86 120.64 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -149.73 175.36 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.12 162.4 25.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.2 p -62.29 134.31 56.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.31 46.93 5.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -139.35 123.4 17.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.743 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.5 mm -74.51 121.79 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.1 mt -107.21 112.9 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.05 87.32 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.561 HG22 ' CD1' ' A' ' 8' ' ' TYR . 13.2 t -74.56 144.08 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.96 95.71 5.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -37.21 62.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.25 -57.63 5.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.563 HG22 ' CD2' ' A' ' 44' ' ' TYR . 18.8 m -54.67 132.55 45.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.368 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 38' ' ' GLY . 7.5 p -134.96 155.06 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.418 ' N ' HG22 ' A' ' 37' ' ' VAL . . . 175.4 -103.57 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.421 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 6.6 mm-40 -57.44 163.96 3.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -82.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.514 1.797 . . . . 0.0 111.057 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.92 59.82 3.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.421 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 93.4 m95 -148.35 119.82 7.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.601 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -97.33 162.3 13.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.563 ' CD2' HG22 ' A' ' 36' ' ' THR . 38.6 t80 -133.75 114.55 13.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.01 174.98 20.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.444 1.09 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.0 m -117.29 114.95 24.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 110.023 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.5 ' CZ ' ' NE2' ' A' ' 48' ' ' GLN . 40.3 t80 -114.45 171.88 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.5 ' NE2' ' CZ ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -34.83 106.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 36.0 35.53 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 75.1 m-20 -142.39 120.73 12.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -136.36 110.88 8.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.73 -170.07 28.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -94.28 174.19 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 43' ' ' LEU . 4.3 p90 -173.53 159.11 3.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.03 126.02 9.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . 0.458 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 11.8 p -63.74 -16.75 61.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -75.06 -14.47 60.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 6.0 m-85 -102.26 28.27 6.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 58' ' ' TYR . 33.4 m -157.33 161.72 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.97 92.26 3.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -42.13 101.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.9 ptm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.46 154.14 94.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.6 36.89 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -175.59 2.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.782 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.2 m -121.22 136.61 54.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.9 m -109.48 173.53 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.6 p -148.1 176.17 10.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.59 161.37 13.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.5 p -168.37 164.48 12.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -174.0 142.51 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.2 p -107.53 -174.96 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.369 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 m -166.46 162.69 17.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.52 129.74 2.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -175.92 2.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.0 170.84 20.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.74 170.57 15.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 110.954 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.49 137.86 2.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.427 ' CD1' ' CG2' ' A' ' 32' ' ' VAL . 27.7 m-85 -140.35 146.23 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.3 ttp85 -102.07 142.11 33.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.62 109.11 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -61.7 -58.58 7.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -124.18 160.5 52.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 127.9 11.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.417 1.746 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -136.82 141.18 42.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.426 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 2.9 mt-10 -101.66 145.06 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.51 159.84 14.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.44 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 0.5 OUTLIER -99.44 138.25 36.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 p -106.94 132.89 52.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -155.93 176.05 13.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -137.33 153.22 50.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.6 p -51.09 135.02 26.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.21 50.72 3.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 77.2 m-20 -148.66 117.53 6.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.7 mm -73.5 123.76 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 31' ' ' GLN . 17.5 mt -108.71 150.18 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.41 ' N ' HG23 ' A' ' 30' ' ' ILE . 61.9 mm-40 -104.27 98.16 8.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.427 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 55.1 t -84.21 139.88 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.56 92.92 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.42 -32.6 50.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -51.13 71.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.4 m -50.81 145.59 6.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.379 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.415 ' O ' ' CH2' ' A' ' 53' ' ' TRP . 35.3 m -57.49 166.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.86 132.33 1.59 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.1 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 168.76 0.45 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.08 8.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.769 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.17 16.97 5.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -131.88 154.79 48.84 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.511 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 30.2 mt -138.96 125.36 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -103.99 144.38 31.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.36 171.1 32.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -129.34 118.35 22.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' GLN . 22.5 t80 -118.0 172.2 7.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' PHE . 2.3 mt-30 -35.16 110.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.67 37.05 0.13 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.443 1.089 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -143.16 112.82 6.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.614 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -135.31 113.35 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.44 ' CA ' ' HB2' ' A' ' 22' ' ' MET . . . -157.97 -170.6 22.91 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.415 ' CH2' ' O ' ' A' ' 37' ' ' VAL . 36.3 m95 -107.04 149.41 27.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 48.7 p90 -145.67 159.95 45.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.2 23.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 29.2 p -75.67 69.41 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -151.7 -46.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.347 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.424 ' O ' ' CG1' ' A' ' 59' ' ' VAL . 78.8 m-85 -85.24 45.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 58' ' ' TYR . 30.0 m -155.4 165.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.07 117.77 7.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -52.2 121.31 6.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.6 mmm . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 tt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -139.47 154.45 71.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 163.1 35.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.45 11.23 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.2 p -127.0 176.86 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.443 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.85 176.33 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.246 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 m -134.57 169.59 17.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.13 154.37 38.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.2 p -178.15 151.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.038 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -175.94 157.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.0 t -172.98 153.61 2.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.07 168.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.29 126.81 2.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.553 1.158 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.45 5.01 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.91 135.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.17 170.45 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -172.31 160.24 4.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.008 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p 45.99 91.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.19 94.51 1.25 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m 56.76 163.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.981 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.4 p -118.59 -61.0 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.8 108.01 2.13 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.466 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 41.8 m-85 -135.71 155.71 49.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -121.17 116.51 25.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.5 116.26 4.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 3.4 mt -65.27 -61.22 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -115.55 156.61 45.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 113.66 3.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.474 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 9.9 t80 -110.7 144.76 39.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 4.8 tt0 -110.08 139.22 45.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.78 89.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -102.15 45.69 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -147.53 -161.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -78.59 -75.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.575 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.7 56.7 0.67 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -97.6 163.8 12.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.69 162.32 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 p -136.13 122.95 21.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.047 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -157.5 162.83 38.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -111.3 170.57 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.9 p -70.51 147.29 49.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.952 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.9 21.37 61.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -122.2 122.05 38.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.9 mm -61.62 139.33 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 mm -118.87 105.1 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -68.48 74.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 99.5 t -71.0 132.52 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -91.32 101.44 14.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.98 54.24 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.339 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.5 mtmt -148.43 -48.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.9 m -56.84 129.31 40.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 59.0 t -119.31 149.15 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.64 -100.64 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 5.7 mm-40 -63.11 164.77 12.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.91 59.97 4.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.407 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 83.1 m95 -141.29 151.97 44.1 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 17.4 mt -127.9 130.4 48.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.508 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 38.2 t80 -107.7 134.32 50.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.04 -177.72 19.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -138.0 116.16 11.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.458 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 31.6 t80 -121.36 172.25 8.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 3.7 mt-30 -35.13 110.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.01 34.79 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 69.6 m-20 -139.02 110.73 7.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -136.26 116.89 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.96 -170.87 28.46 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.565 1.165 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.508 ' CE3' ' HB2' ' A' ' 44' ' ' TYR . 67.4 m95 -107.82 124.99 50.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 43' ' ' LEU . 42.8 p90 -119.21 160.79 39.91 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.467 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -74.98 134.29 17.67 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 56' ' ' CYS . 26.7 p -70.45 94.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 108.291 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 t30 173.69 -60.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.235 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.467 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 15.1 m-85 -44.72 -39.35 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.6 m -89.09 153.01 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -131.97 116.05 16.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.347 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -48.69 126.86 12.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -98.58 161.41 25.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 157.1 42.99 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.85 59.63 2.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.15 64.3 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.041 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 41.6 73.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 m120 60.64 153.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.63 152.58 48.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -89.83 106.2 18.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.89 110.24 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.4 p -106.2 141.23 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.6 m -114.1 93.05 28.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 94.25 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -50.78 159.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -84.72 142.18 30.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -122.66 149.13 44.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 pp -95.45 148.03 22.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -112.71 156.14 42.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 162.44 37.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -178.18 3.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.0 t -123.97 161.56 25.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.62 137.33 55.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.53 166.71 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.42 HD21 ' N ' ' A' ' 85' ' ' SER . 2.4 tt -137.52 156.59 47.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.42 ' N ' HD21 ' A' ' 84' ' ' LEU . 53.2 p -63.88 169.68 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -147.75 -177.57 5.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.456 ' CG2' ' N ' ' A' ' 88' ' ' SER . 0.6 OUTLIER 45.67 -171.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 110.389 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.456 ' N ' ' CG2' ' A' ' 87' ' ' THR . 34.2 p -177.68 175.5 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.31 100.39 1.35 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.05 4.62 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.0 p -135.34 174.38 10.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.038 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 t -150.29 75.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.029 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 p -130.05 170.91 13.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -124.92 -57.55 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.55 -169.98 11.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.55 7.72 8.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 0.768 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.18 -66.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.11 133.59 6.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.477 ' CE2' ' HG3' ' A' ' 61' ' ' LYS . 28.1 m-85 -138.06 145.26 41.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.749 . . . . 0.0 110.962 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -101.9 126.81 48.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.557 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . . . -60.97 128.1 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.5 mt -79.04 -52.32 8.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -121.42 160.18 47.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 103.88 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . 64.0 t80 -105.43 136.28 45.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -104.58 151.16 23.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -102.76 103.01 13.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -146.33 35.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.522 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.2 t-20 -121.44 -65.07 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 18' ' ' ASN . 2.0 m170 178.13 126.58 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 40.93 50.64 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -112.15 153.0 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 ttm -98.22 155.73 17.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.94 114.86 21.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 10' ' ' ALA . 21.6 p90 -138.58 169.15 18.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -122.89 144.47 49.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.7 p -48.89 137.32 12.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.02 42.1 6.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.561 ' HB3' ' CE1' ' A' ' 47' ' ' PHE . 73.1 m-20 -139.89 123.97 17.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.6 mm -71.23 124.92 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.7 mt -112.08 125.95 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -82.1 93.38 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -78.96 139.72 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.43 75.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -41.73 -40.45 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -49.09 -58.26 5.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.8 m -50.85 124.23 10.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 p -116.13 160.42 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.95 -103.56 0.19 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.21 163.4 3.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -82.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.464 ' C ' ' CD1' ' A' ' 42' ' ' TRP . . . -92.02 62.17 2.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.464 ' CD1' ' C ' ' A' ' 41' ' ' GLY . 31.5 m95 -147.26 137.42 23.23 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 15.0 mt -115.91 121.86 43.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -87.71 127.43 35.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.44 167.76 24.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.0 p -123.14 115.68 22.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 28' ' ' ASP . 33.6 t80 -113.49 172.25 7.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.465 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.14 109.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.34 34.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' GLN . 73.8 m-20 -139.84 118.13 12.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.7 OUTLIER -135.52 117.4 15.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.958 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.48 -169.96 26.61 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 56.8 m95 -107.69 149.75 27.76 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 26.5 p90 -149.07 160.54 34.78 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.78 38.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.4 p -90.82 44.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.325 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -137.27 14.33 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -135.76 9.09 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.1 m -127.49 158.74 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.77 121.79 29.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.477 ' HG3' ' CE2' ' A' ' 8' ' ' TYR . 11.1 tttt -60.39 97.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.3 ptm -65.18 158.26 72.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.6 m -133.2 -45.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.2 p -127.69 95.75 4.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.063 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.12 -44.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -95.81 127.16 41.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -160.79 148.38 15.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -81.55 142.03 33.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -179.04 103.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.0 p -71.62 159.24 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 71.8 p -108.54 150.11 40.25 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 80.08 2.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.766 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.11 108.39 10.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -137.39 174.9 10.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.96 151.89 49.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.64 130.15 21.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.16 149.07 39.59 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 173.27 14.8 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.9 t -115.52 124.81 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 p -94.59 146.89 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.1 p -115.75 169.15 9.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.22 162.55 13.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.2 m -141.92 164.62 29.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.7 172.79 7.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -156.36 152.75 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 p -129.19 174.96 9.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -151.48 105.2 0.28 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -179.41 4.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.1 p -151.12 174.24 13.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.49 169.21 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -108.95 -57.76 2.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 109.944 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 p -148.25 105.31 3.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.997 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.45 58.49 0.16 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 p -110.69 -172.02 1.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 0.802 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.68 -59.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.13 124.67 3.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.59 ' CD1' ' CG2' ' A' ' 32' ' ' VAL . 8.5 m-85 -123.43 144.57 49.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' NE ' HD12 ' A' ' 29' ' ' ILE . 8.1 ttm180 -107.79 125.43 51.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.561 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . . . -62.62 118.82 8.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.6 mt -72.09 -42.81 65.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -128.79 157.54 75.12 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 101.03 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.521 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 1.6 t80 -107.8 149.47 28.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.427 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 3.5 tt0 -130.09 126.48 37.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.45 109.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -35.61 66.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -175.71 173.93 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 71.63 -158.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.602 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -91.66 48.96 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -86.1 153.56 22.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.0 ttp -105.29 147.36 28.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.6 p -112.87 142.11 45.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 10' ' ' ALA . 6.5 p90 -164.23 170.12 16.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -119.22 158.24 26.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.0 p -60.78 140.14 57.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.947 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 9.22 60.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.112 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.601 ' CG ' ' CE1' ' A' ' 47' ' ' PHE . 1.1 t0 -97.21 135.38 39.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.454 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 36.6 mm -98.74 93.97 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.4 mt -78.75 143.68 12.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 29' ' ' ILE . 8.0 mp0 -99.63 89.36 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.59 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 73.9 t -74.34 120.59 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -93.91 76.28 4.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -41.37 -29.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -54.91 -53.64 52.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.2 m -50.97 130.32 25.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.439 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 p -90.3 156.66 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.84 -167.17 40.3 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -48.04 157.63 0.62 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -52.03 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -86.2 45.82 3.52 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 60.2 m95 -155.0 134.77 12.81 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.59 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 25.8 mt -123.76 120.79 33.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.547 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 18.5 t80 -83.89 133.89 34.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.08 161.42 27.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.0 p -120.57 116.61 25.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.739 . . . . 0.0 110.041 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CE1' ' CG ' ' A' ' 28' ' ' ASP . 46.6 t80 -128.32 172.12 11.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.507 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 3.6 mt-30 -35.17 110.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.8 33.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' GLN . 15.2 m-80 -133.36 112.7 11.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -139.27 107.6 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.74 -169.8 27.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.547 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 67.7 m95 -109.99 133.05 53.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.985 -1.116 . . . . 0.0 107.985 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 35.1 p90 -123.79 160.77 49.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 57' ' ' ASN . 18.4 Cg_endo -74.98 133.24 16.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.499 1.789 . . . . 0.0 111.059 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 28.0 p -69.56 68.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 55' ' ' PRO . 8.6 m-20 -150.55 -48.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.414 ' O ' ' CG1' ' A' ' 59' ' ' VAL . 84.9 m-85 -85.5 46.41 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.414 ' CG1' ' O ' ' A' ' 58' ' ' TYR . 18.9 m -155.7 164.63 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.86 95.66 2.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 8' ' ' TYR . 12.0 tttm -47.11 107.78 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.7 mtp -83.98 160.55 57.69 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -166.41 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.58 81.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -156.29 87.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 60.26 86.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -151.15 154.86 37.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -174.78 139.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -56.07 117.83 4.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -150.95 62.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.5 p -103.14 158.81 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 m -110.89 101.5 49.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.71 15.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.49 101.97 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.45 157.78 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -103.39 156.59 17.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.43 160.69 15.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.8 mp -135.97 157.05 76.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.94 43.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.32 20.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t -166.27 119.94 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.7 p -173.33 170.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.22 127.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.952 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.0 tp -159.09 119.87 3.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.92 148.45 49.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.25 170.11 15.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.2 t -171.12 146.74 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.391 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.9 p -162.64 156.44 20.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.85 96.44 0.1 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 179.23 6.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.8 m -143.69 171.89 13.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.72 170.88 21.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -134.86 93.99 3.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.99 167.88 12.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.32 -78.2 0.12 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 p -159.42 161.28 35.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 110.025 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -152.04 167.08 29.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.83 152.14 18.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.549 ' CD1' ' CG2' ' A' ' 32' ' ' VAL . 30.4 m-85 -139.74 145.67 38.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -104.73 128.64 52.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.96 129.41 38.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 60' ' ' GLU . 49.1 mt -81.79 -50.62 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -121.04 158.91 51.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 121.37 6.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CE2' ' O ' ' A' ' 15' ' ' GLU . 83.1 t80 -113.64 148.36 36.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.559 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -104.52 157.82 16.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.28 117.8 32.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -68.82 -32.27 71.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -148.51 167.82 24.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -49.32 -41.26 38.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.61 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.08 -30.54 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.03 147.75 23.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.463 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 13.0 ttp -101.98 143.51 31.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.3 p -114.18 124.81 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 14' ' ' PHE . 19.1 p90 -143.75 168.66 19.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -126.45 137.1 53.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.3 p -40.23 129.97 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.11 46.85 2.99 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 53.3 m-20 -145.44 126.64 14.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.04 127.49 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.434 HG22 ' CE ' ' A' ' 22' ' ' MET . 50.2 mt -115.48 129.83 71.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.43 93.36 9.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.549 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 38.8 t -75.0 110.34 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -77.08 83.28 3.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.15 -43.42 20.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -49.21 -56.77 8.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.5 m -61.7 125.86 25.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.2 t -136.01 155.21 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.87 -100.08 0.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.521 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 1.3 mm-40 -60.43 163.92 7.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -81.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.533 1.807 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.8 55.47 4.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.521 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 83.0 m95 -145.77 146.08 31.07 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 23.3 mt -128.23 132.34 48.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.497 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 8.0 t80 -100.58 141.48 33.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -155.88 155.82 26.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 m -114.33 115.09 26.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 0.793 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.496 ' CZ ' ' HB3' ' A' ' 28' ' ' ASP . 27.0 t80 -114.17 172.22 7.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' PHE . 2.3 mt-30 -34.99 110.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.33 36.73 0.1 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -140.02 120.14 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -136.17 110.24 8.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.463 ' CA ' ' HB2' ' A' ' 22' ' ' MET . . . -155.48 -172.27 22.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.497 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 62.1 m95 -111.08 131.37 55.13 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 53.9 p90 -121.03 161.76 38.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.01 143.79 29.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 27.8 p -86.17 57.26 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.324 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 55' ' ' PRO . 17.5 p30 -167.02 31.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 1.6 m-85 -135.09 -42.07 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.421 HG21 ' CD2' ' A' ' 8' ' ' TYR . 15.4 m -77.52 171.14 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -134.63 100.19 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -40.52 101.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.2 ptm -65.82 158.61 74.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 145.01 30.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.441 1.759 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.2 m -107.71 105.78 15.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.85 78.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -137.21 118.84 14.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -124.37 136.11 53.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -103.46 98.6 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -157.33 125.83 5.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.53 86.05 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.3 t -136.01 136.97 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 96.0 p -115.81 153.95 48.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 129.61 12.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt 60.11 111.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -75.57 108.97 8.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.73 126.72 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 pp -78.74 145.02 34.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.9 mp -100.33 149.82 36.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 169.33 22.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 162.14 37.73 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.431 1.753 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.4 t -142.14 151.21 42.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.402 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.7 m -142.03 175.16 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 81.3 p -163.33 168.5 20.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.939 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.39 172.74 16.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.16 166.35 31.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.47 142.43 23.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.8 p -105.45 178.94 4.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.5 p -162.15 146.6 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.041 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -119.1 150.53 17.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -174.3 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.64 164.62 29.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.4 p -115.18 167.71 10.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m 61.26 121.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 0.817 . . . . 0.0 110.059 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 t -163.67 -61.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.1 -88.04 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 p 58.11 169.4 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 0.74 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.85 -51.42 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.42 139.92 1.59 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.511 ' CD1' ' CG2' ' A' ' 32' ' ' VAL . 35.5 m-85 -143.2 144.39 32.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -102.35 128.71 48.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.527 ' HB1' ' CD1' ' A' ' 24' ' ' PHE . . . -61.92 116.08 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 26.2 mt -67.04 -50.83 60.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -126.03 160.94 54.44 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 113.57 3.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.032 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 6.8 t80 -124.95 131.37 53.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -99.41 140.22 33.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.45 114.63 0.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.82 -46.12 14.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -88.81 -165.64 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -92.34 -33.25 14.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.585 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.84 37.91 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.85 177.43 4.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.37 160.68 20.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m -131.7 123.0 26.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.527 ' CD1' ' HB1' ' A' ' 10' ' ' ALA . 16.0 p90 -151.91 164.46 37.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -114.33 146.51 40.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.1 p -45.23 138.24 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.73 -30.69 9.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.79 127.33 31.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.4 mm -82.81 121.42 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 31' ' ' GLN . 10.1 mt -106.23 142.98 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.4 ' N ' HG22 ' A' ' 30' ' ' ILE . 40.5 mm-40 -103.97 93.09 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.511 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 73.9 t -73.51 152.09 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -119.7 76.9 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.11 -36.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -63.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.6 m -53.02 125.82 18.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.43 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 p -128.15 160.94 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.52 -100.76 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.531 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 0.5 OUTLIER -58.35 164.7 3.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.463 0.743 . . . . 0.0 110.29 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -87.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.768 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.38 57.15 5.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.531 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 81.1 m95 -144.72 137.33 26.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 42.2 mt -121.91 125.81 47.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -89.1 134.04 34.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.79 160.33 28.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 p -113.42 138.09 50.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.945 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' GLN . 24.3 t80 -145.49 172.23 13.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' ASN . 3.7 mt-30 -35.19 107.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 34.59 35.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' GLN . 73.3 m-20 -138.03 111.48 8.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -134.48 111.27 9.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.17 -170.0 25.21 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -110.72 143.53 41.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 35.1 p90 -134.94 161.27 64.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 57' ' ' ASN . 18.3 Cg_endo -75.02 128.08 11.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.3 p -65.34 81.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 108.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 55' ' ' PRO . 46.3 t30 -165.77 -43.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.476 ' O ' ' CG1' ' A' ' 59' ' ' VAL . 93.0 m-85 -87.33 45.53 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 58' ' ' TYR . 15.3 m -158.42 158.62 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.38 130.65 35.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -66.21 99.12 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.4 ptm -68.71 158.05 86.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.58 29.19 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.556 1.819 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 t -132.84 88.34 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.981 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.0 t 65.16 142.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.955 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.51 79.03 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -75.8 144.67 41.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 61.7 120.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.41 141.43 19.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.62 122.57 43.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 74.2 t -71.18 136.84 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.8 109.47 1.73 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.74 10.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.51 133.15 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.02 168.01 16.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.68 148.22 27.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -174.72 126.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 41.4 mt -110.03 100.56 44.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 154.82 43.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.42 12.81 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.54 1.811 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.4 t -144.46 152.77 41.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.352 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.0 p -165.94 166.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.84 150.97 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.77 138.41 5.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.9 p -151.94 164.64 36.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -167.6 147.67 5.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 39.9 m -152.51 133.74 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.59 148.49 27.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.84 99.24 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.14 7.65 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.7 173.15 11.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.9 t -134.84 -57.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.4 p -70.91 134.34 47.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t -98.04 140.62 32.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.993 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.62 142.56 38.82 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 p -172.68 172.1 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -134.61 160.79 37.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.44 141.57 13.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.491 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 18.7 m-85 -133.98 144.77 48.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.04 122.51 41.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HB1' ' CD2' ' A' ' 24' ' ' PHE . . . -63.62 116.69 5.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.32 -62.37 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -115.0 159.48 37.49 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.87 6.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.477 1.778 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.516 ' CD1' ' N ' ' A' ' 15' ' ' GLU . 24.0 t80 -124.1 156.98 35.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.516 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -133.43 143.06 48.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.48 94.72 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -48.08 -54.89 11.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER 163.55 88.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.297 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 11.2 t60 173.26 64.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.586 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' HIS . 1.0 OUTLIER 40.56 29.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 19' ' ' HIS . 1.0 OUTLIER -85.83 167.75 14.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.1 ttm -102.8 161.1 14.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.8 p -130.49 123.9 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.413 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 17.4 p90 -153.63 168.72 25.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -124.63 145.85 49.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.3 p -48.15 141.45 6.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.47 40.58 8.31 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -140.24 129.67 24.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.8 mm -74.77 123.53 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.5 mt -111.14 121.69 64.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -79.69 92.61 5.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 110.247 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.491 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 26.6 t -78.39 148.01 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -112.99 105.05 13.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -81.12 -18.81 45.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.86 18.16 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.0 m -114.75 131.85 56.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 p -108.28 160.63 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.61 -100.78 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 6.8 mm-40 -80.49 164.61 50.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -85.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.92 58.02 4.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.424 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 81.5 m95 -140.13 149.3 42.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.554 ' O ' ' CE1' ' A' ' 54' ' ' PHE . 88.3 mt -123.6 127.82 48.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 12.1 t80 -99.25 139.89 34.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.5 166.39 31.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 m -121.26 115.23 22.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.022 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' OE1' ' A' ' 48' ' ' GLN . 30.1 t80 -119.01 167.27 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.596 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.0 mp0 -35.4 112.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.32 34.22 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 74.1 m-20 -141.67 110.67 6.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.789 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -135.17 115.39 13.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.73 -170.6 28.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 52.6 m95 -107.14 128.98 54.88 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.554 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 40.1 p90 -119.22 160.23 42.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.81 12.65 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.529 1.805 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 22.1 p -67.06 88.47 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.266 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -174.86 -41.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.419 ' O ' ' CG1' ' A' ' 59' ' ' VAL . 95.5 m-85 -87.87 41.52 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' A' ' 58' ' ' TYR . 12.6 m -156.84 131.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.7 110.98 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -50.16 100.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.5 ptm -64.05 158.87 60.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 65' ' ' SER . 18.2 Cg_endo -75.0 -164.13 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' SER . 25.6 t 63.68 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 63' ' ' PRO . 91.0 p -39.5 115.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -165.64 177.68 7.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -126.67 126.67 43.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 65.9 151.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.62 142.61 8.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -97.03 108.37 21.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.7 p -74.63 161.06 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.7 m -131.03 81.43 66.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -167.11 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 110.997 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt 62.62 157.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -169.14 171.67 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -98.04 168.77 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.94 125.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.83 142.4 37.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 154.68 42.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 177.14 9.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 p -132.6 157.49 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 p -119.94 150.05 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.75 156.05 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.05 176.4 12.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -177.45 173.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.22 162.64 18.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 55.1 m -157.52 124.47 5.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.05 172.88 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -160.21 156.96 28.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.12 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.05 2.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 84.1 p -140.08 170.73 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.0 p -106.66 167.28 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 p -74.29 155.89 37.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 0.736 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.28 74.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.47 96.93 0.19 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 111.057 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.4 178.46 7.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.8 -55.22 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.69 126.87 1.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.623 ' CD1' ' CG2' ' A' ' 32' ' ' VAL . 16.8 m-85 -134.27 145.52 49.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -95.75 148.87 22.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.539 ' HB2' ' CD1' ' A' ' 24' ' ' PHE . . . -88.61 119.19 28.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 37.9 mt -70.55 -54.91 10.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -119.95 157.49 52.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 111.44 3.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . 7.9 t80 -121.25 122.62 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.3 146.49 24.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.93 114.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -90.9 39.63 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 t30 66.1 172.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 78.2 57.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 46.86 48.33 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -100.05 171.15 8.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -121.32 176.2 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.1 m -131.3 131.59 43.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.539 ' CD1' ' HB2' ' A' ' 10' ' ' ALA . 28.0 p90 -155.55 145.83 21.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -104.09 158.2 16.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.6 p -60.34 128.71 38.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.68 38.55 4.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -134.34 125.73 28.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.3 mm -72.87 119.62 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.422 HD13 ' CG ' ' A' ' 24' ' ' PHE . 8.1 mt -104.47 127.97 58.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -83.25 87.41 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.623 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 53.3 t -68.86 157.68 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.13 92.84 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -15.1 27.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -79.17 -66.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.0 m -70.66 126.5 29.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.5 p -144.33 151.52 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.23 -98.82 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.43 1.081 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.5 160.04 83.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -14.22 21.21 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.787 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -125.47 46.3 1.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.505 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 66.0 m95 -153.01 159.55 42.91 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 78.0 mt -142.92 136.11 28.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 5.6 t80 -105.3 139.7 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.84 -176.3 26.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.2 m -136.53 115.55 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 48' ' ' GLN . 24.4 t80 -115.72 172.24 7.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.448 ' O ' ' ND2' ' A' ' 50' ' ' ASN . 3.6 mt-30 -35.13 109.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 34.93 34.82 0.05 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 77.3 m-20 -140.55 114.38 8.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -134.01 114.6 13.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.84 -173.44 30.5 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.404 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 53.2 m95 -105.15 132.68 51.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 35.4 p90 -123.35 161.04 47.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.504 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.03 132.15 15.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.5 p -71.74 94.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 108.285 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 170.29 -47.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.504 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.0 m-85 -60.08 -19.87 55.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -101.91 165.98 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.5 115.15 10.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -53.79 109.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.2 ptp -58.48 159.23 12.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 147.45 34.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.4 89.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.92 111.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.34 -30.74 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 175.77 165.46 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.41 131.26 34.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 67.14 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -96.91 117.41 31.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.2 p -77.7 131.48 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -145.5 93.83 5.27 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 135.39 18.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.456 1.766 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -140.29 164.92 28.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.94 149.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -175.54 170.0 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 tp 66.05 156.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.5 142.7 45.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.56 42.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 174.62 12.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.7 p -109.87 168.02 9.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.3 m -112.8 154.88 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.72 169.55 16.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.67 166.63 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.9 p -117.28 167.43 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.67 175.68 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.6 t -143.9 150.23 38.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 p -111.94 172.19 7.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -122.3 154.83 16.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -177.55 3.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.43 170.45 22.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.6 p -119.91 161.92 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.55 109.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t 45.34 75.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.43 100.96 0.14 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -100.01 176.85 5.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.017 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -125.21 -58.98 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.02 119.27 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.476 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 12.4 m-85 -126.29 143.68 51.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -101.83 138.14 39.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.25 120.78 22.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 25.7 mt -70.2 -55.07 10.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -122.95 160.16 50.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.62 4.07 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.508 1.793 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 15' ' ' GLU . 81.5 t80 -115.13 148.02 39.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.59 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -107.23 156.94 18.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.62 163.48 12.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -96.28 9.5 40.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 59.72 83.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 179.05 -76.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.62 22.87 3.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -117.6 157.11 26.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.3 ttp -114.86 151.73 33.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.44 131.88 56.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 13.6 p90 -151.16 173.15 14.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -126.09 147.77 49.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 109.343 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.6 p -52.71 132.36 36.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.18 41.72 4.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -140.04 127.15 20.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.764 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.6 mm -75.85 119.65 24.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -107.44 134.01 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -90.9 94.15 9.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.476 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 37.7 t -78.69 152.35 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -123.64 92.51 3.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.59 55.76 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -149.02 -47.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.3 m -56.07 123.96 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.33 148.14 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' HA3' ' CH2' ' A' ' 53' ' ' TRP . . . 167.25 178.51 39.58 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -40.71 160.15 0.14 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.539 1.81 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.51 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -81.53 50.5 4.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.51 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 72.8 m95 -154.32 122.75 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 16.9 mt -110.86 118.54 36.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.566 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 42.3 t80 -82.12 115.35 21.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.81 157.09 19.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -115.85 115.33 26.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 26.9 t80 -117.69 172.28 7.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' ASN . 2.6 mt-30 -35.73 112.51 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.68 33.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.6 m-80 -137.36 117.55 13.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -135.72 112.4 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.76 -169.87 27.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 44' ' ' TYR . 39.4 m95 -113.33 137.92 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 43' ' ' LEU . 28.3 p90 -127.99 160.47 61.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.72 14.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.38 94.5 2.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.314 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.6 t30 177.45 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -83.54 3.99 30.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.18 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.0 m -117.44 158.68 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.41 101.12 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -47.65 122.67 5.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.2 mtm -93.35 160.57 32.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 138.01 22.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.0 119.23 12.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.64 122.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 61.85 132.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -152.99 123.52 7.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 60.84 99.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -68.68 119.4 13.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -158.53 89.22 0.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.49 157.71 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.04 136.27 21.73 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.99 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -177.14 3.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.994 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -85.87 175.31 8.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.9 165.4 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.67 178.22 4.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.62 166.43 20.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 pp -134.37 154.31 79.79 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.11 36.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 176.35 10.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 p -125.39 178.12 5.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.42 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.8 p -160.91 129.49 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.32 145.64 41.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.5 -166.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.86 178.27 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -156.44 168.49 27.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 77.8 p -139.34 -174.46 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.88 170.61 17.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -138.4 111.14 0.78 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -178.97 4.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 t -134.41 174.39 10.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.0 p -128.42 172.0 11.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 p -161.57 89.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.999 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -159.74 90.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.0 -136.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -131.33 7.31 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -159.29 145.63 16.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.097 . . . . 0.0 110.046 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.07 127.76 7.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.466 ' CD1' ' CG2' ' A' ' 32' ' ' VAL . 37.7 m-85 -117.61 147.51 42.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.83 132.68 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.56 120.95 20.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.452 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 48.6 mt -69.67 -51.34 35.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -126.25 162.23 47.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 128.4 11.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 46.9 t80 -126.19 154.9 42.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.521 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 2.8 mp0 -125.7 150.78 47.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.21 106.71 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -75.26 -37.9 60.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.255 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.15 -170.28 1.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -101.57 39.36 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.588 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.52 33.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -117.19 168.86 9.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.0 ttp -108.69 145.58 34.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.92 113.3 21.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -130.8 168.56 17.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -122.22 147.09 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.7 p -50.37 136.35 20.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.27 46.81 5.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -142.3 128.89 20.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mm -74.61 122.76 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.3 mt -110.6 115.74 50.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.405 ' OE1' ' N ' ' A' ' 31' ' ' GLN . 1.5 mp0 -74.72 87.5 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.466 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 24.6 t -66.17 137.66 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.372 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -101.62 98.9 9.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.69 49.22 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -138.61 -51.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.3 m -56.51 128.89 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.45 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 38' ' ' GLY . 13.8 p -83.87 156.09 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.363 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.411 ' N ' HG22 ' A' ' 37' ' ' VAL . . . 170.97 -168.85 41.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -44.32 151.56 0.56 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.244 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -39.24 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -95.05 50.1 1.94 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 68.7 m95 -156.02 153.51 29.58 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.587 ' O ' ' CE1' ' A' ' 54' ' ' PHE . 17.8 mt -134.55 127.01 30.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 21.5 t80 -101.67 128.19 48.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.63 160.13 27.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -112.15 116.18 30.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.028 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' GLN . 26.5 t80 -113.6 172.21 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ASN . 2.2 mt-30 -34.96 108.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 34.88 34.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' GLN . 78.4 m-20 -139.39 121.12 15.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -136.01 117.04 14.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -158.76 -171.97 25.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 66.2 m95 -111.84 124.67 52.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 48.4 p90 -115.13 161.92 26.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.5 Cg_endo -74.99 135.17 18.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.783 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.426 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 27.1 p -78.71 91.82 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 108.309 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.426 ' OD1' ' C ' ' A' ' 56' ' ' CYS . 5.1 p-10 164.32 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 2.8 m-85 -77.0 -16.66 59.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.9 m -98.18 165.65 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.452 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -137.06 110.75 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -53.56 101.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.5 ptm -57.64 158.24 12.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.71 3.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.541 1.811 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.4 t -132.28 -49.49 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.72 126.26 30.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -139.33 -45.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 t30 174.29 149.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -88.03 103.54 15.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.7 tptm 64.01 127.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.72 147.32 28.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.01 133.95 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -123.49 89.84 50.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.03 -168.55 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.45 1.763 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 39.8 41.11 0.77 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -103.33 88.96 3.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -41.93 160.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 40.78 73.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.02 145.65 98.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.28 16.69 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 127.37 10.62 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.4 t -129.38 142.18 50.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.442 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 p -171.82 150.97 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.32 128.15 47.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.38 155.85 22.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.2 141.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -163.15 168.8 20.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.1 t -155.59 159.22 39.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.0 p -116.42 167.52 10.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -150.59 97.96 0.18 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.13 10.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.81 173.9 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t -172.75 167.89 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -141.58 -58.37 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m 54.18 94.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.956 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.58 -99.51 2.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.54 1.15 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m 60.22 166.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 109.969 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.04 -53.43 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.05 113.62 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -121.35 149.26 43.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.29 120.69 34.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.09 124.74 17.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 27.5 mt -81.88 -43.12 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -134.5 155.74 79.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 105.76 2.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.789 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -105.91 149.98 26.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -125.6 146.93 49.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.444 ' HB2' ' CB ' ' A' ' 21' ' ' GLU . . . -77.8 124.76 28.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -107.55 -8.61 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -114.45 173.67 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -90.7 38.91 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.59 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -173.92 44.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' CB ' ' HB2' ' A' ' 16' ' ' ALA . 4.6 mt-10 -135.4 161.59 35.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -103.44 160.67 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.43 112.66 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -133.77 176.09 8.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -126.53 148.64 49.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.73 156.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.012 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.17 39.72 92.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.491 1.12 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -141.9 121.23 13.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 0.807 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.7 mm -63.52 131.73 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' VAL . 5.0 mm -110.87 107.52 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -67.02 74.37 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' ILE . 93.7 t -75.2 136.99 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.36 110.59 22.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -87.98 46.4 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -137.93 -56.06 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.0 m -53.26 125.94 19.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.2 p -103.09 160.56 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.98 -100.8 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.56 1.163 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.537 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 1.5 mm-40 -71.1 163.95 61.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -85.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.82 59.3 4.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.537 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 85.1 m95 -143.05 138.23 29.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.592 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 81.9 mt -114.93 124.2 51.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.444 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 25.4 t80 -97.02 132.64 42.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.65 179.71 24.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.5 p -130.32 118.14 20.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.446 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 31.6 t80 -122.18 172.32 8.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.446 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 1.7 mt-30 -35.22 109.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.36 34.49 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.143 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 69.6 m-20 -138.1 112.95 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -134.67 110.47 9.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.49 -169.96 27.71 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.444 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 32.2 m95 -107.38 149.2 28.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 53.9 p90 -143.64 161.2 47.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.04 21.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.536 1.808 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.5 p -78.64 90.68 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.303 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 4.7 p-10 -172.44 -41.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -85.23 48.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.9 m -154.86 160.47 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -135.75 104.75 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -47.95 103.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 ptp -53.08 159.19 2.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.01 5.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -134.33 -53.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -57.54 102.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.7 -51.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 50.76 97.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -144.42 96.23 2.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -127.85 58.35 1.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 64.58 131.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.8 m -83.53 109.85 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.85 95.33 7.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 65.07 6.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tptt 43.71 72.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 52.7 176.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.92 161.12 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 tt 62.53 136.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -138.91 154.78 73.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.83 17.56 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.455 1.766 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.25 35.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.7 m -108.3 140.97 40.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.5 m -54.53 179.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.8 p -120.53 170.89 8.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.98 128.12 20.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.3 p -115.61 170.19 8.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -148.75 177.86 9.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -166.77 166.88 15.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.5 p -153.35 174.27 14.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -156.53 152.45 23.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -172.73 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 110.958 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 88.4 p -149.98 161.49 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 t -131.08 169.04 16.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.28 152.36 22.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.8 m 59.62 157.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.79 -140.98 12.17 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.2 p -65.3 166.33 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 0.805 . . . . 0.0 110.012 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.33 -51.33 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.56 127.0 3.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 61' ' ' LYS . 20.3 m-85 -134.83 144.61 47.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.28 134.01 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.38 123.32 25.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.419 ' CD1' ' HB3' ' A' ' 60' ' ' GLU . 20.3 mt -74.78 -47.92 28.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -123.07 159.83 52.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 120.5 6.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -113.25 168.09 10.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -144.66 154.95 43.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.4 173.82 8.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.58 -36.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -56.36 -68.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -174.83 -73.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.582 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.21 51.4 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -99.65 149.32 23.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.482 ' CE ' ' O ' ' A' ' 45' ' ' GLY . 0.7 OUTLIER -101.47 139.43 37.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.4 p -114.27 133.78 55.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -149.33 170.53 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -118.71 147.97 43.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.7 p -53.62 130.18 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.33 43.98 3.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -140.09 128.18 22.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.775 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mm -77.51 119.18 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.0 mt -107.49 119.46 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -77.39 86.53 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.538 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 64.3 t -68.74 140.13 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.16 94.84 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.71 -29.64 70.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -54.43 43.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.8 m -55.45 127.59 30.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -88.37 157.79 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.489 ' HA3' ' CH2' ' A' ' 53' ' ' TRP . . . 174.44 -172.92 45.78 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -43.13 164.65 0.13 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -61.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.578 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -83.47 47.75 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 71.2 m95 -156.65 126.87 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.496 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 7.4 mt -119.5 133.36 55.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.527 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 17.0 t80 -89.58 132.09 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' CE ' ' A' ' 22' ' ' MET . . . -143.01 149.62 21.51 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.5 p -107.74 127.16 53.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 48' ' ' GLN . 23.0 t80 -129.66 172.12 11.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ASN . 1.8 mt-30 -35.36 111.47 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.41 34.29 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.2 m-80 -137.96 115.98 11.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 2.8 m-85 -135.54 111.43 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.94 -173.15 32.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.527 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 77.5 m95 -102.54 133.14 48.0 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.496 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 7.4 p90 -123.91 160.64 50.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -74.98 127.95 11.11 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.3 p -63.76 -23.63 67.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 108.346 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.434 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 5.7 p-10 -84.18 54.84 3.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.556 ' CD2' ' HG2' ' A' ' 55' ' ' PRO . 1.8 m-85 -163.47 -43.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.3 m -82.04 161.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' HB3' ' CD1' ' A' ' 11' ' ' LEU . 0.5 OUTLIER -122.47 121.91 37.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 8' ' ' TYR . 13.6 tttt -62.4 98.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 17.4 ptm -61.72 158.04 44.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 104.03 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 t -147.99 113.59 5.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.97 146.41 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -129.88 150.11 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -174.22 -40.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 59.91 150.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -71.38 154.0 41.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.81 175.14 5.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.8 p -50.72 147.42 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.6 p -128.3 151.77 76.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 174.56 12.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.788 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 64.1 132.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.32 175.98 8.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -176.3 84.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.88 118.19 28.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.471 ' CD1' ' HD2' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -102.47 139.17 19.97 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 78' ' ' LEU . 18.3 Cg_endo -74.97 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t -130.06 145.39 51.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.17 125.3 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.2 p -133.55 172.05 13.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.4 ' CD2' ' C ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -151.29 163.17 39.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 60.8 p -141.55 -178.87 5.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -139.27 173.22 11.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.5 m -141.69 131.51 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.366 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.25 173.02 6.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -139.6 102.06 0.33 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.31 8.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.75 171.7 12.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.98 168.22 13.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 m 50.06 98.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.957 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -134.76 166.07 23.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.959 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.42 -100.3 2.65 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.03 155.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 0.774 . . . . 0.0 110.036 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -115.81 -63.76 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.95 106.04 3.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.519 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 19.4 m-85 -122.68 170.15 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -127.38 105.87 8.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.64 122.88 7.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 60' ' ' GLU . 69.8 mt -80.88 -48.87 11.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -126.45 154.8 75.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 108.3 2.69 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.445 1.761 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CE2' ' O ' ' A' ' 15' ' ' GLU . 52.9 t80 -95.34 167.88 11.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.112 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.456 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -127.56 163.66 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.57 99.05 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -136.69 42.67 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.84 -60.27 1.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.89 -69.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.586 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.01 54.04 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -117.07 153.16 33.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 110.33 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.44 162.84 14.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.1 p -122.77 126.27 47.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.994 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.411 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 15.1 p90 -142.08 145.1 33.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -100.19 140.42 34.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.4 p -40.61 151.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.033 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.68 -53.44 4.54 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -44.86 126.13 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.763 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.9 mm -71.36 125.77 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.4 mm -100.35 106.74 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -70.64 73.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.519 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 70.1 t -72.33 139.67 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.14 90.69 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.1 -26.46 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -57.34 -56.93 15.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.4 HG22 ' CD2' ' A' ' 44' ' ' TYR . 32.9 m -62.89 125.81 25.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -135.24 156.07 38.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.31 -102.08 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -45.96 163.43 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -88.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.93 57.35 4.83 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -147.81 154.65 40.75 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 54' ' ' PHE . 17.4 mt -138.52 131.2 29.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.4 ' CD2' HG22 ' A' ' 36' ' ' THR . 52.8 t80 -98.69 135.68 39.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.82 -176.89 19.21 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -134.23 114.99 13.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.055 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' OE1' ' A' ' 48' ' ' GLN . 30.8 t80 -119.06 167.71 11.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.596 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.0 mt-30 -35.05 111.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.2 34.43 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' GLN . 75.5 m-20 -141.76 111.32 6.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -137.39 115.82 11.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.5 -171.57 29.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -98.5 123.88 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 55.1 p90 -121.13 160.79 43.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.01 137.29 21.5 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 43' ' ' LEU . 23.3 p -68.34 -29.16 67.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 108.278 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -79.74 55.08 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.568 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 1.0 OUTLIER -159.35 -43.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.7 m -89.35 171.38 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -141.74 122.6 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.088 . . . . 0.0 110.258 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -66.78 97.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.7 ptm -65.19 157.61 76.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.32 25.08 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.522 1.801 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -70.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -172.4 -40.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -137.29 118.84 14.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -144.69 96.84 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -150.19 161.05 43.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.59 154.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 71' ' ' VAL . . . -97.16 96.71 8.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 70' ' ' ALA . 0.4 OUTLIER 53.82 172.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.99 149.36 43.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.464 1.771 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 159.22 15.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -171.98 146.43 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -103.67 134.79 46.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.26 168.21 19.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.05 159.58 29.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 152.98 41.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 170.07 21.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 110.993 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.6 t -114.55 150.88 34.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.7 p -83.63 157.71 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.9 169.93 16.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.959 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 tp -121.98 170.93 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.9 p -133.49 167.4 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.78 175.34 9.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 73.3 p -142.04 178.44 7.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.0 p -153.21 172.46 16.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -141.54 153.12 23.88 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.561 1.163 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -177.14 3.25 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.07 165.51 35.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.5 p -115.53 168.22 10.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.65 106.05 8.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -80.8 102.86 10.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.979 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.28 -150.59 22.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p 57.87 163.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 109.989 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -147.8 166.25 28.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.62 142.65 13.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.559 ' CD1' ' CG2' ' A' ' 32' ' ' VAL . 19.2 m-85 -134.49 143.63 47.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -97.85 143.67 28.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.526 ' HB2' ' CD2' ' A' ' 24' ' ' PHE . . . -80.96 121.46 26.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.9 mt -75.53 -48.6 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -127.95 161.99 52.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 120.41 6.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -99.5 167.74 10.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -133.5 134.23 43.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' CB ' ' HB3' ' A' ' 21' ' ' GLU . . . -132.48 114.5 14.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.1 26.26 10.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -136.31 159.78 40.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -85.05 72.66 10.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.549 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 178.84 -37.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HB3' ' CB ' ' A' ' 16' ' ' ALA . 11.4 mt-10 -85.82 146.12 26.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.459 ' CG ' ' HB3' ' A' ' 50' ' ' ASN . 2.7 ttm -102.64 150.09 23.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.3 p -115.47 132.33 56.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.526 ' CD2' ' HB2' ' A' ' 10' ' ' ALA . 14.3 p90 -152.16 156.16 39.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -113.61 139.27 49.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.7 p -40.36 125.2 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.77 44.9 2.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 80.7 m-20 -141.48 120.22 12.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.8 mm -71.46 124.4 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.7 mt -112.07 134.59 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -92.44 93.34 8.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.329 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.559 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 46.2 t -74.91 125.27 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.5 79.0 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -47.13 -32.31 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -55.8 -60.36 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.8 m -50.84 124.33 10.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -114.42 162.55 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.58 -99.92 0.15 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.42 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 5.0 mm-40 -69.35 165.09 43.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.415 ' CD ' ' CD ' ' A' ' 39' ' ' GLU . 18.4 Cg_endo -75.02 -85.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.43 57.23 5.03 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.508 1.13 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.42 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 90.4 m95 -143.67 125.75 15.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.589 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 23.6 mt -109.12 116.93 32.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -83.95 116.0 22.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.03 158.67 16.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.3 p -117.89 115.65 25.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.79 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 28' ' ' ASP . 21.2 t80 -118.8 172.15 7.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' PHE . 2.4 mt-30 -35.16 110.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.52 36.39 0.1 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.459 ' HB3' ' CG ' ' A' ' 22' ' ' MET . 3.2 m-80 -138.92 119.43 13.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 0.733 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -137.2 114.2 10.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.63 -169.88 27.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -112.04 152.32 28.32 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.589 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 31.4 p90 -145.47 160.43 45.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 130.02 12.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 44.7 t -71.75 77.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -160.22 -45.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -86.5 43.35 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 m -151.02 140.5 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.65 94.42 4.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -41.65 132.21 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.9 162.13 21.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.65 43.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.5 1.789 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 95.5 p -144.29 100.96 3.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.4 t -171.34 119.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.56 80.67 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -65.64 130.0 41.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -114.33 145.25 42.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.13 67.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.38 130.88 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.4 p -42.04 131.41 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.2 133.38 87.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 78.43 2.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -161.17 133.03 5.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.15 130.2 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -168.77 174.44 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.1 tt 65.65 124.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.09 165.78 16.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 124.53 8.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 171.36 18.46 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.3 p -95.17 174.25 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.5 p -132.83 168.29 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.2 p -160.49 161.75 32.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.47 177.97 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.75 171.35 18.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -135.11 164.25 28.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 38.7 m -149.04 125.26 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.7 p -96.14 174.95 6.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -154.06 154.07 25.26 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -171.94 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.7 p -145.63 166.59 25.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m -144.21 169.46 17.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 110.949 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 m -51.33 -57.99 7.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.961 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 m -69.43 104.91 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.56 -104.06 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 p -77.19 163.29 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.99 -53.07 2.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.93 118.0 0.97 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.556 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 18.1 m-85 -125.52 166.6 16.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ttp85 -116.77 118.38 32.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.8 132.6 31.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 59' ' ' VAL . 15.1 mt -87.87 -44.54 10.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -143.15 156.42 61.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 101.77 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.596 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 2.3 t80 -104.67 138.86 40.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.519 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 4.1 tt0 -91.74 141.33 28.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.245 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.99 86.94 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -105.0 49.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -138.97 -156.25 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.21 -68.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.607 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.25 55.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.596 ' OE2' ' CZ ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -93.29 157.44 16.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.416 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 2.0 ttm -99.46 158.15 15.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 76.1 p -123.98 131.32 53.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -155.56 173.77 16.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -130.13 145.45 51.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -40.34 158.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.44 44.56 97.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.601 ' OD1' ' CE1' ' A' ' 47' ' ' PHE . 2.1 t0 -134.64 139.37 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.452 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 42.6 mm -86.49 116.31 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.4 mm -101.21 110.45 28.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -70.05 73.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.556 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 61.4 t -74.27 141.16 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -105.97 104.99 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.07 52.71 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.42 -51.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 m -51.27 128.58 22.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 38' ' ' GLY . 2.7 p -106.29 146.08 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 37' ' ' VAL . . . -179.23 -100.87 0.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.575 1.172 . . . . 0.0 111.03 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 5.5 mm-40 -70.57 161.64 75.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 0.747 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -76.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.42 62.48 2.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.425 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 85.6 m95 -147.49 140.91 25.36 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 93.7 mt -119.12 119.44 34.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -92.82 126.77 38.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.37 -168.56 11.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.2 p -144.52 115.29 7.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CE1' ' OD1' ' A' ' 28' ' ' ASP . 45.6 t80 -120.67 172.32 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.496 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.48 111.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.84 33.18 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' GLN . 5.8 m-80 -137.08 113.56 10.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -135.8 109.4 7.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.97 -170.16 26.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -108.41 146.74 32.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 45.6 p90 -140.48 160.72 58.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.47 14.32 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.6 p -70.73 64.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 108.337 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -143.27 -47.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.506 ' O ' ' CG1' ' A' ' 59' ' ' VAL . 88.8 m-85 -86.48 43.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 58' ' ' TYR . 19.5 m -158.7 137.13 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.53 123.47 50.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -69.83 106.29 3.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.3 ptp -58.2 159.19 11.79 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 98.87 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.3 t -84.06 95.68 8.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.82 124.79 12.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.95 168.36 14.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.89 162.96 14.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.78 117.64 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.7 tptm 56.07 87.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.43 83.16 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.7 m -115.59 120.62 65.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.0 p -127.89 86.87 57.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 70.62 5.25 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -121.86 91.97 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -70.69 90.98 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.172 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.09 168.26 10.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.11 131.98 44.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.18 143.85 29.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.5 43.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.7 9.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -160.81 119.77 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 30.8 m -125.97 177.86 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.58 170.99 14.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.77 151.51 22.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 p -157.74 163.99 37.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.66 174.95 9.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.7 t -173.05 136.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.7 t -128.35 173.65 10.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.68 116.94 0.75 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.534 1.147 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 177.62 8.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.6 p -137.8 171.47 14.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.7 p -145.6 171.04 15.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.555 1.16 . . . . 0.0 111.009 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 m -166.1 -62.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.989 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 p -148.4 88.81 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.52 53.86 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.05 154.5 48.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.407 ' HB3' ' CE1' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -124.36 164.23 20.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.01 94.15 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 27.2 m-85 -87.83 169.77 11.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.428 ' CB ' ' HG3' ' A' ' 62' ' ' MET . 44.8 ttp180 -128.48 114.65 17.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HB2' ' CD1' ' A' ' 24' ' ' PHE . . . -53.9 119.67 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.405 HD23 ' CB ' ' A' ' 60' ' ' GLU . 31.4 mt -77.78 -46.21 22.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -127.29 154.19 77.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.3 2.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.451 ' HB2' ' CE2' ' A' ' 58' ' ' TYR . 6.0 t80 -114.92 124.94 52.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.53 157.42 16.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.64 87.49 5.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.87 -38.26 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -176.93 -163.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.5 m170 52.15 -171.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.596 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -85.5 49.24 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.78 156.98 20.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.5 ttp -91.44 151.65 20.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 p -124.99 133.18 53.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.535 ' CD1' ' HB2' ' A' ' 10' ' ' ALA . 8.7 p90 -162.85 158.64 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -115.66 150.23 37.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -50.77 159.84 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.55 26.65 74.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -133.56 121.36 22.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 mm -63.13 138.25 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mm -116.72 108.33 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -69.8 73.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.517 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 84.9 t -70.14 139.73 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.27 105.73 16.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -83.39 51.53 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -143.71 -47.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 53.6 m -63.59 132.52 51.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.9 t -118.93 148.09 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.425 ' HA3' ' CH2' ' A' ' 53' ' ' TRP . . . -166.76 -100.98 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.601 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -75.23 163.72 65.96 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -81.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.65 55.25 4.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.601 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 80.4 m95 -145.61 153.24 40.83 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.543 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 13.7 mt -132.86 123.99 27.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.458 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 25.7 t80 -96.32 126.61 41.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.15 -175.57 14.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 m -133.71 115.31 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 0.0 109.988 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 33.7 t80 -119.58 172.42 7.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.467 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 3.8 mt-30 -35.04 108.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.86 33.42 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' GLN . 65.3 m-20 -136.86 114.24 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -135.09 109.84 8.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.26 -169.89 24.14 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.458 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 72.7 m95 -101.25 124.97 47.79 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 24.0 p90 -120.85 160.7 43.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.03 131.19 13.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 18.0 p -65.68 -22.88 66.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 108.308 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.411 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 7.2 p-10 -84.53 53.55 2.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.551 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 1.4 m-85 -159.96 -43.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 m -87.8 156.7 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.405 ' CB ' HD23 ' A' ' 11' ' ' LEU . 1.2 tt0 -124.4 130.2 52.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -69.82 115.25 8.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.428 ' HG3' ' CB ' ' A' ' 9' ' ' ARG . 2.0 mtm -96.92 160.19 29.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 138.5 23.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.61 92.48 5.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.5 p -137.74 80.3 1.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.6 79.55 4.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 57.77 169.82 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.16 172.49 8.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.07 151.5 22.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.17 155.31 23.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.7 p -52.12 125.92 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.12 124.72 88.4 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.47 2.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.468 1.773 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 163.61 19.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -165.36 129.93 2.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.07 169.1 18.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tp -165.14 124.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.28 128.21 93.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 152.52 40.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.808 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -166.11 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.7 t -138.77 141.62 38.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.411 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.7 t -134.51 139.51 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 m -123.07 163.69 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 tp -144.26 100.55 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.0 p -72.35 173.38 8.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.966 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.33 158.68 44.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.8 p -118.95 166.3 13.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.3 m -167.93 171.44 9.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.044 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.55 156.97 21.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -174.57 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.3 p -161.23 164.86 30.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.29 165.96 10.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -47.47 144.3 3.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.754 . . . . 0.0 110.063 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 p -165.73 99.47 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.19 98.31 0.39 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -109.38 163.69 13.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.738 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -113.71 -55.65 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.36 131.8 2.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.437 ' CD1' HG23 ' A' ' 32' ' ' VAL . 18.9 m-85 -133.13 143.8 49.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -99.24 136.45 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.09 120.12 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.415 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 33.2 mt -71.69 -55.86 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -125.71 158.39 65.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.3 12.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 3.2 t80 -139.61 140.57 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.477 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -102.47 143.17 32.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' CB ' ' HB3' ' A' ' 21' ' ' GLU . . . -58.78 149.47 26.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.27 -43.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -61.01 -169.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -77.3 -44.69 28.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.577 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.24 61.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.418 ' HB3' ' CB ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -99.74 157.61 16.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.4 ttp -107.62 142.89 36.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.5 p -113.23 134.41 54.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -155.76 -179.74 8.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -135.91 147.54 48.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.0 p -52.96 134.19 37.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.23 35.58 5.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.532 ' HB3' ' CE1' ' A' ' 47' ' ' PHE . 17.6 m-20 -137.61 122.86 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.3 mm -73.59 120.01 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.7 mt -106.11 119.66 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -78.85 91.31 4.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.437 HG23 ' CD1' ' A' ' 8' ' ' TYR . 76.8 t -77.3 150.37 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -117.07 82.74 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -43.4 -45.76 6.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -42.54 -61.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.7 m -53.34 127.11 23.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 p -127.63 161.61 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.28 -99.56 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.51 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -68.15 165.04 36.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 110.258 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -78.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -86.87 59.02 4.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.51 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 81.8 m95 -153.42 125.41 7.87 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 15.1 mt -114.18 135.63 53.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.597 ' CD1' ' CD1' ' A' ' 53' ' ' TRP . 27.9 t80 -99.73 137.97 37.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.57 -179.56 28.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.1 m -129.48 115.9 18.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 28' ' ' ASP . 42.5 t80 -115.31 172.22 7.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.495 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.05 109.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.45 36.14 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.2 m-80 -140.13 119.87 13.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -134.57 109.89 8.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.76 -170.34 25.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.597 ' CD1' ' CD1' ' A' ' 44' ' ' TYR . 20.3 m95 -111.13 147.03 35.77 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 46.6 p90 -136.44 160.99 64.64 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 135.63 19.23 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.0 t -79.14 94.41 5.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 108.321 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 4.8 p-10 -178.93 -39.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -90.19 23.65 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.0 m -131.33 154.57 40.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -133.57 103.32 5.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -50.79 115.06 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.7 mtm -88.33 160.15 45.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 111.051 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 132.66 15.76 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.88 89.28 6.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.4 t -157.13 76.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.86 107.25 6.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 173.66 96.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.79 156.95 28.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.96 163.13 23.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.83 154.23 29.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' A' ' 71' ' ' VAL . 2.2 p -109.95 111.54 36.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.88 117.89 69.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 65.26 6.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.786 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -68.12 140.09 56.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -74.24 163.36 27.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -177.76 167.72 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.7 175.23 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 mt -118.23 115.09 36.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 160.25 40.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.543 1.812 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -178.19 4.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.7 m -156.02 136.35 13.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.3 m -125.79 176.59 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.7 p -162.09 171.99 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -174.55 146.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.89 173.68 11.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -161.92 176.05 11.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.4 t -163.32 165.54 24.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 110.391 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.6 p -168.42 171.09 9.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.59 101.78 0.18 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.493 1.12 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -179.36 4.91 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.512 1.796 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.0 t -141.42 175.19 9.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.7 172.09 14.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t -68.79 118.93 12.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 p -61.86 146.6 49.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.29 164.04 22.36 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -142.27 170.12 16.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.003 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -112.06 -68.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.99 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.55 76.88 1.0 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.574 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 18.8 m-85 -83.99 166.51 17.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.418 ' HB3' ' CG ' ' A' ' 60' ' ' GLU . 5.3 ttp85 -118.4 129.24 55.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.4 120.68 16.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' CD1' ' HB3' ' A' ' 60' ' ' GLU . 14.0 mt -80.65 -46.15 16.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -127.96 155.16 78.12 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 103.15 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.787 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -85.81 164.93 17.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -137.17 115.26 11.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.08 . . . . 0.0 110.311 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.15 122.07 5.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 10.2 ttm180 -88.19 42.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 1.6 t30 79.98 173.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 76.39 -157.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -88.24 45.51 1.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.42 154.86 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.7 ttm -98.37 157.28 16.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.0 p -133.96 125.8 28.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -147.28 167.31 24.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -109.65 158.02 18.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.9 p -67.49 136.87 55.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.085 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.12 30.68 12.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.599 ' OD1' ' CE1' ' A' ' 47' ' ' PHE . 13.2 t70 -123.04 161.58 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 43.8 mm -100.58 115.56 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mm -97.32 107.03 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -69.45 73.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.574 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 92.2 t -70.04 127.14 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.32 88.37 4.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.64 -19.23 9.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -58.16 -56.99 14.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.2 m -63.91 131.6 48.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.398 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.14 155.22 36.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.5 -103.24 0.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 42' ' ' TRP . 0.7 OUTLIER -50.44 161.43 0.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.267 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -85.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.037 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.22 59.42 4.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.465 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 64.4 m95 -143.81 152.49 41.27 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 20.9 mt -133.36 115.06 14.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -84.48 134.65 34.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.81 167.95 27.03 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -125.33 115.36 20.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.599 ' CE1' ' OD1' ' A' ' 28' ' ' ASP . 45.0 t80 -120.38 172.19 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.28 110.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.75 33.85 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.4 m-80 -135.53 113.49 11.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 0.791 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -136.96 109.23 7.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.71 -169.85 27.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -104.29 139.03 39.86 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 7.0 p90 -135.11 161.05 65.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.04 131.02 13.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.552 1.817 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.417 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . 25.2 p -64.92 -19.44 65.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.273 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.503 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 8.2 p30 -84.63 51.19 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 2.8 m-85 -159.46 -42.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.473 HG23 ' CE1' ' A' ' 54' ' ' PHE . 30.8 m -91.94 157.02 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.431 ' HB3' ' CD1' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -120.92 143.08 49.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -80.55 112.47 17.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 33.6 mtp -78.04 161.32 71.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 158.11 42.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 p -75.42 79.47 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.29 154.95 19.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 66.96 94.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -129.55 119.7 24.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -173.29 84.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.97 111.05 9.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -165.38 72.77 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.36 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.2 m -123.15 55.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.87 144.52 31.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.966 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 116.73 4.66 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -62.71 141.24 58.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mttm 71.03 -173.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 57.88 -179.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 mp -45.47 156.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mp -139.15 154.66 72.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -165.37 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 m -114.42 161.3 18.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.7 m -89.14 176.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.42 177.64 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 tp -151.48 100.52 2.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.37 166.73 12.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -146.3 169.04 19.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.3 p -146.12 -179.13 6.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 179.35 174.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.42 156.35 27.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -169.3 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.63 -58.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.958 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.11 161.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.143 . . . . 0.0 110.961 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m 51.75 95.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 110.019 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 m -111.68 166.69 10.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.8 -141.77 27.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 p 54.01 173.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.794 . . . . 0.0 110.029 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -139.34 -173.42 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.74 89.4 0.15 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.681 ' CD1' ' CG2' ' A' ' 32' ' ' VAL . 6.1 m-85 -80.63 143.8 32.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -108.44 122.28 46.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' ' 24' ' ' PHE . . . -68.67 123.9 22.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 33.0 mt -79.55 -51.63 9.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -120.66 160.7 43.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.0 11.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 39.1 t80 -126.29 156.31 40.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.592 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -126.19 148.97 49.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.55 126.55 31.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -40.06 78.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -147.91 -176.05 5.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -72.7 91.78 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.631 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 169.54 -34.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.485 ' OE2' ' CZ ' ' A' ' 14' ' ' PHE . 2.9 mt-10 -85.7 167.11 15.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.463 ' CE ' HG23 ' A' ' 30' ' ' ILE . 1.3 ttp -109.23 145.23 36.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 p -114.25 118.2 33.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.503 ' CD1' ' HB1' ' A' ' 10' ' ' ALA . 31.7 p90 -141.42 164.53 29.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -121.16 141.38 50.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 p -40.57 139.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.6 44.99 7.04 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -141.14 126.7 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.2 mm -79.72 125.32 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.463 HG23 ' CE ' ' A' ' 22' ' ' MET . 26.1 mt -110.9 127.06 68.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -81.51 87.35 6.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.681 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 24.2 t -67.92 122.03 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.12 79.75 4.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -47.66 -30.39 3.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -54.58 -61.39 2.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.561 ' CG2' ' CD2' ' A' ' 44' ' ' TYR . 15.9 m -50.81 130.18 24.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.383 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 p -122.55 162.35 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.78 -99.22 0.14 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.418 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 6.5 mm-40 -69.36 162.15 68.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.784 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -79.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.65 60.28 3.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.418 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 89.6 m95 -147.39 121.87 9.73 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -94.37 146.78 23.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.561 ' CD2' ' CG2' ' A' ' 36' ' ' THR . 33.5 t80 -127.25 110.2 12.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.6 176.2 18.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.6 p -119.11 114.9 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.451 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 29.1 t80 -114.32 172.27 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.451 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.0 mt-30 -34.94 105.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 36.05 34.47 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 76.0 m-20 -141.12 123.42 15.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -139.62 117.69 11.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.73 -169.78 27.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -106.1 174.47 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 43' ' ' LEU . 4.6 p90 -174.8 159.74 2.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' ASN . 18.3 Cg_endo -75.01 128.72 11.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.435 1.755 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 29.2 p -67.58 72.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 108.271 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' PRO . 62.4 t30 -153.04 -46.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.437 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 69.7 m-85 -73.31 -1.71 19.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.408 ' CG2' ' CE1' ' A' ' 54' ' ' PHE . 35.3 m -122.44 -178.19 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -160.16 102.49 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -45.45 130.38 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.2 mtm -108.86 161.94 21.83 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 145.31 31.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.2 t -161.95 76.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.5 p -156.05 89.85 1.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -176.54 154.25 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -150.5 116.0 5.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -165.59 56.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -85.5 138.43 32.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.27 78.37 5.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.9 p -105.43 62.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.55 89.61 10.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 104.64 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -88.3 168.44 12.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.36 139.51 49.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.23 166.95 28.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.37 127.61 17.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -113.74 130.5 23.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.56 18.07 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 132.51 15.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.3 t -163.14 153.39 16.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.6 p -154.4 135.48 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 m -123.71 154.66 39.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.84 168.68 18.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.62 165.03 33.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -128.38 172.92 10.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.2 t -161.39 163.98 30.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.68 173.16 10.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 110.046 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.21 152.6 23.91 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.61 2.97 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.52 162.96 6.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.2 158.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -178.8 -59.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.752 . . . . 0.0 109.982 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.86 -61.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.61 108.61 1.27 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.85 144.63 49.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.763 . . . . 0.0 110.032 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 m -151.88 175.52 12.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.9 137.53 6.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.561 ' CD1' HG22 ' A' ' 32' ' ' VAL . 6.7 m-85 -124.15 140.22 53.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.6 ttp85 -96.57 126.19 41.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.61 120.75 13.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 mt -78.66 -49.11 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -125.66 156.01 71.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.445 1.76 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.455 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 4.6 t80 -119.42 139.08 52.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.4 149.54 39.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.4 172.97 2.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.35 -35.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -50.96 -60.22 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 173.95 -65.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.601 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -114.64 54.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.32 165.04 11.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.9 ttm -99.54 156.07 17.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 p -119.86 120.64 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -149.73 175.36 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.12 162.4 25.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.2 p -62.29 134.31 56.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.31 46.93 5.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -139.35 123.4 17.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.743 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.5 mm -74.51 121.79 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.1 mt -107.21 112.9 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.05 87.32 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.561 HG22 ' CD1' ' A' ' 8' ' ' TYR . 13.2 t -74.56 144.08 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.96 95.71 5.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -37.21 62.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.25 -57.63 5.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.563 HG22 ' CD2' ' A' ' 44' ' ' TYR . 18.8 m -54.67 132.55 45.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.368 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 38' ' ' GLY . 7.5 p -134.96 155.06 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.418 ' N ' HG22 ' A' ' 37' ' ' VAL . . . 175.4 -103.57 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.421 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 6.6 mm-40 -57.44 163.96 3.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -82.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.514 1.797 . . . . 0.0 111.057 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.92 59.82 3.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.421 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 93.4 m95 -148.35 119.82 7.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.601 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -97.33 162.3 13.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.563 ' CD2' HG22 ' A' ' 36' ' ' THR . 38.6 t80 -133.75 114.55 13.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.01 174.98 20.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.444 1.09 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.0 m -117.29 114.95 24.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 110.023 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.5 ' CZ ' ' NE2' ' A' ' 48' ' ' GLN . 40.3 t80 -114.45 171.88 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.5 ' NE2' ' CZ ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -34.83 106.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 36.0 35.53 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 75.1 m-20 -142.39 120.73 12.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -136.36 110.88 8.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.73 -170.07 28.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -94.28 174.19 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 43' ' ' LEU . 4.3 p90 -173.53 159.11 3.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.03 126.02 9.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.458 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 11.8 p -63.74 -16.75 61.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -75.06 -14.47 60.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 6.0 m-85 -102.26 28.27 6.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 58' ' ' TYR . 33.4 m -157.33 161.72 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.97 92.26 3.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -42.13 101.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.9 ptm -75.86 158.86 82.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 179.71 5.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.8 m -106.09 75.81 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.3 p -138.52 141.75 39.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -101.02 -52.02 3.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.0 t30 173.47 151.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -78.68 170.71 16.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -134.09 88.38 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -120.5 68.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -78.41 142.55 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.8 m -106.84 147.2 34.61 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.57 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -51.35 174.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -118.49 163.26 17.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.59 83.99 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.4 174.19 10.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.36 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.46 154.14 94.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 149.6 36.89 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -175.59 2.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.782 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.2 m -121.22 136.61 54.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.9 m -109.48 173.53 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.6 p -148.1 176.17 10.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.59 161.37 13.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.5 p -168.37 164.48 12.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -174.0 142.51 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.2 p -107.53 -174.96 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.369 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 m -166.46 162.69 17.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.52 129.74 2.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -175.92 2.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.0 170.84 20.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.74 170.57 15.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 110.954 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.79 -57.47 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.767 . . . . 0.0 110.025 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 46.26 80.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.43 -71.62 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.32 163.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.7 -63.37 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.49 137.86 2.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.427 ' CD1' ' CG2' ' A' ' 32' ' ' VAL . 27.7 m-85 -140.35 146.23 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.3 ttp85 -102.07 142.11 33.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.62 109.11 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -61.7 -58.58 7.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -124.18 160.5 52.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 127.9 11.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.417 1.746 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -136.82 141.18 42.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 2.9 mt-10 -101.66 145.06 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.8 121.5 6.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.39 -37.97 12.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.26 -168.37 2.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -90.8 -31.03 16.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.613 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.89 41.68 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.51 159.84 14.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.44 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 0.5 OUTLIER -99.44 138.25 36.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 p -106.94 132.89 52.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -155.93 176.05 13.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -137.33 153.22 50.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.6 p -51.09 135.02 26.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.21 50.72 3.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 77.2 m-20 -148.66 117.53 6.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.7 mm -73.5 123.76 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 31' ' ' GLN . 17.5 mt -108.71 150.18 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.41 ' N ' HG23 ' A' ' 30' ' ' ILE . 61.9 mm-40 -104.27 98.16 8.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.427 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 55.1 t -84.21 139.88 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.56 92.92 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.42 -32.6 50.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -51.13 71.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.4 m -50.81 145.59 6.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.379 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.415 ' O ' ' CH2' ' A' ' 53' ' ' TRP . 35.3 m -57.49 166.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.86 132.33 1.59 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.1 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 168.76 0.45 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.08 8.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.769 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.17 16.97 5.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -131.88 154.79 48.84 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.511 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 30.2 mt -138.96 125.36 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -103.99 144.38 31.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.36 171.1 32.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -129.34 118.35 22.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' GLN . 22.5 t80 -118.0 172.2 7.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' PHE . 2.3 mt-30 -35.16 110.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.67 37.05 0.13 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.443 1.089 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -143.16 112.82 6.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.614 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -135.31 113.35 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.44 ' CA ' ' HB2' ' A' ' 22' ' ' MET . . . -157.97 -170.6 22.91 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.415 ' CH2' ' O ' ' A' ' 37' ' ' VAL . 36.3 m95 -107.04 149.41 27.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 48.7 p90 -145.67 159.95 45.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.2 23.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 29.2 p -75.67 69.41 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -151.7 -46.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.347 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.424 ' O ' ' CG1' ' A' ' 59' ' ' VAL . 78.8 m-85 -85.24 45.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 58' ' ' TYR . 30.0 m -155.4 165.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.07 117.77 7.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -52.2 121.31 6.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.6 mmm -100.83 162.09 21.75 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 140.02 25.09 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.1 t -126.09 95.56 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.87 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 53.99 80.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 40.82 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.78 106.67 1.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.86 123.96 43.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.29 136.08 35.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.4 t -93.38 143.91 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.2 m -78.77 142.82 61.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.87 13.77 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.72 170.7 8.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.05 120.48 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.45 174.83 11.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 tt -94.39 151.37 19.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -139.47 154.45 71.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 163.1 35.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.45 11.23 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.2 p -127.0 176.86 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.443 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.85 176.33 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.246 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 m -134.57 169.59 17.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.13 154.37 38.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 92.2 p -178.15 151.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.038 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -175.94 157.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.0 t -172.98 153.61 2.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.07 168.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.29 126.81 2.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.553 1.158 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.45 5.01 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.91 135.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.17 170.45 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.491 ' HG ' ' HD1' ' A' ' 8' ' ' TYR . 89.4 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.8 108.01 2.13 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.491 ' HD1' ' HG ' ' A' ' 6' ' ' SER . 41.8 m-85 -135.71 155.71 49.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -121.17 116.51 25.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.5 116.26 4.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.878 HD12 ' O ' ' A' ' 58' ' ' TYR . 3.4 mt -65.27 -61.22 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -115.55 156.61 45.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 18.3 Cg_endo -75.01 113.66 3.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.474 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 9.9 t80 -110.7 144.76 39.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.474 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 4.8 tt0 -110.08 139.22 45.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -97.6 163.8 12.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.69 162.32 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 p -136.13 122.95 21.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.047 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -157.5 162.83 38.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 71.3 m-80 -111.3 170.57 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.9 p -70.51 147.29 49.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.952 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.9 21.37 61.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -122.2 122.05 38.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.9 mm -61.62 139.33 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 mm -118.87 105.1 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -68.48 74.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 99.5 t -71.0 132.52 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -91.32 101.44 14.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.98 54.24 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.339 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.481 ' O ' HG23 ' A' ' 37' ' ' VAL . 23.5 mtmt -148.43 -48.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.9 m -56.84 129.31 40.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 35' ' ' LYS . 59.0 t -119.31 149.15 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.64 -100.64 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 5.7 mm-40 -63.11 164.77 12.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.91 59.97 4.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.407 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 83.1 m95 -141.29 151.97 44.1 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 17.4 mt -127.9 130.4 48.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.508 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 38.2 t80 -107.7 134.32 50.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.04 -177.72 19.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -138.0 116.16 11.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.458 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 31.6 t80 -121.36 172.25 8.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 3.7 mt-30 -35.13 110.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.01 34.79 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 69.6 m-20 -139.02 110.73 7.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -136.26 116.89 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.96 -170.87 28.46 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.565 1.165 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.508 ' CE3' ' HB2' ' A' ' 44' ' ' TYR . 67.4 m95 -107.82 124.99 50.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 43' ' ' LEU . 42.8 p90 -119.21 160.79 39.91 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.467 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -74.98 134.29 17.67 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.415 ' HA ' HD12 ' A' ' 43' ' ' LEU . 26.7 p -70.45 94.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 108.291 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 t30 173.69 -60.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.235 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.878 ' O ' HD12 ' A' ' 11' ' ' LEU . 15.1 m-85 -44.72 -39.35 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.6 m -89.09 153.01 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.732 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -131.97 116.05 16.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.347 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -48.69 126.86 12.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 78' ' ' LEU . 2.2 pt? -112.71 156.14 42.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 162.44 37.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -178.18 3.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.0 t -123.97 161.56 25.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.62 137.33 55.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.53 166.71 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 85' ' ' SER . 2.4 tt -137.52 156.59 47.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.42 ' N ' HD23 ' A' ' 84' ' ' LEU . 53.2 p -63.88 169.68 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -147.75 -177.57 5.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.664 HG23 ' N ' ' A' ' 88' ' ' SER . 0.6 OUTLIER 45.67 -171.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 110.389 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.664 ' N ' HG23 ' A' ' 87' ' ' THR . 34.2 p -177.68 175.5 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.31 100.39 1.35 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.05 4.62 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.0 p -135.34 174.38 10.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.038 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 t -150.29 75.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.029 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.11 133.59 6.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.489 ' CD1' HG21 ' A' ' 32' ' ' VAL . 28.1 m-85 -138.06 145.26 41.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.749 . . . . 0.0 110.962 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -101.9 126.81 48.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.97 128.1 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 60' ' ' GLU . 18.5 mt -79.04 -52.32 8.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -121.42 160.18 47.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 103.88 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . 64.0 t80 -105.43 136.28 45.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -104.58 151.16 23.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.436 ' HB2' ' C ' ' A' ' 22' ' ' MET . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 40.1 mt-10 -112.15 153.0 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.436 ' C ' ' HB2' ' A' ' 16' ' ' ALA . 2.6 ttm -98.22 155.73 17.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.94 114.86 21.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 14' ' ' PHE . 21.6 p90 -138.58 169.15 18.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -122.89 144.47 49.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.7 p -48.89 137.32 12.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.02 42.1 6.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.56 ' HB3' ' CE1' ' A' ' 47' ' ' PHE . 73.1 m-20 -139.89 123.97 17.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.424 HD12 ' SD ' ' A' ' 62' ' ' MET . 28.6 mm -71.23 124.92 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.7 mt -112.08 125.95 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -82.1 93.38 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 8' ' ' TYR . 54.1 t -78.96 139.72 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.43 75.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -41.73 -40.45 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -49.09 -58.26 5.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.45 HG21 ' CD2' ' A' ' 44' ' ' TYR . 51.8 m -50.85 124.23 10.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 p -116.13 160.42 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.95 -103.56 0.19 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.21 163.4 3.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -82.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.464 ' C ' ' CD1' ' A' ' 42' ' ' TRP . . . -92.02 62.17 2.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.464 ' CD1' ' C ' ' A' ' 41' ' ' GLY . 31.5 m95 -147.26 137.42 23.23 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 15.0 mt -115.91 121.86 43.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.45 ' CD2' HG21 ' A' ' 36' ' ' THR . 18.3 t80 -87.71 127.43 35.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.44 167.76 24.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.0 p -123.14 115.68 22.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 28' ' ' ASP . 33.6 t80 -113.49 172.25 7.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.465 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.14 109.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.34 34.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' GLN . 23.3 m120 -139.84 118.13 12.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.7 OUTLIER -135.52 117.4 15.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.958 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.48 -169.96 26.61 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 56.8 m95 -107.69 149.75 27.76 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 26.5 p90 -149.07 160.54 34.78 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.78 38.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.4 p -90.82 44.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.325 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -137.27 14.33 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -135.76 9.09 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.1 m -127.49 158.74 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.413 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -128.77 121.79 29.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.477 ' HG3' ' CE2' ' A' ' 8' ' ' TYR . 11.1 tttt -60.39 97.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.424 ' SD ' HD12 ' A' ' 29' ' ' ILE . 24.3 ptm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.16 149.07 39.59 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 173.27 14.8 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.9 t -115.52 124.81 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 p -94.59 146.89 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.1 p -115.75 169.15 9.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.22 162.55 13.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.2 m -141.92 164.62 29.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.7 172.79 7.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -156.36 152.75 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 p -129.19 174.96 9.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -151.48 105.2 0.28 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -179.41 4.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.1 p -151.12 174.24 13.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.49 169.21 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.13 124.67 3.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.67 ' CD1' HG21 ' A' ' 32' ' ' VAL . 8.5 m-85 -123.43 144.57 49.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.626 ' NE ' HD11 ' A' ' 29' ' ' ILE . 8.1 ttm180 -107.79 125.43 51.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.62 118.82 8.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.6 mt -72.09 -42.81 65.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -128.79 157.54 75.12 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 101.03 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.521 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 1.6 t80 -107.8 149.47 28.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.427 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 3.5 tt0 -130.09 126.48 37.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -86.1 153.56 22.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.0 ttp -105.29 147.36 28.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.6 p -112.87 142.11 45.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 14' ' ' PHE . 6.5 p90 -164.23 170.12 16.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -119.22 158.24 26.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.0 p -60.78 140.14 57.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.947 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 9.22 60.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.112 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.601 ' CG ' ' CE1' ' A' ' 47' ' ' PHE . 1.1 t0 -97.21 135.38 39.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.626 HD11 ' NE ' ' A' ' 9' ' ' ARG . 36.6 mm -98.74 93.97 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.4 mt -78.75 143.68 12.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 29' ' ' ILE . 8.0 mp0 -99.63 89.36 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.67 HG21 ' CD1' ' A' ' 8' ' ' TYR . 73.9 t -74.34 120.59 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -93.91 76.28 4.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -41.37 -29.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -54.91 -53.64 52.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.2 m -50.97 130.32 25.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.439 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 p -90.3 156.66 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.84 -167.17 40.3 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -48.04 157.63 0.62 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -52.03 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -86.2 45.82 3.52 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 60.2 m95 -155.0 134.77 12.81 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.59 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 25.8 mt -123.76 120.79 33.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.546 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 18.5 t80 -83.89 133.89 34.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.08 161.42 27.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.0 p -120.57 116.61 25.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.739 . . . . 0.0 110.041 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CE1' ' CG ' ' A' ' 28' ' ' ASP . 46.6 t80 -128.32 172.12 11.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.507 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 3.6 mt-30 -35.17 110.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.8 33.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' GLN . 15.2 m-80 -133.36 112.7 11.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -139.27 107.6 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.74 -169.8 27.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.546 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 67.7 m95 -109.99 133.05 53.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.985 -1.116 . . . . 0.0 107.985 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 35.1 p90 -123.79 160.77 49.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 57' ' ' ASN . 18.4 Cg_endo -74.98 133.24 16.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.499 1.789 . . . . 0.0 111.059 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 28.0 p -69.56 68.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 55' ' ' PRO . 8.6 m-20 -150.55 -48.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.512 ' O ' HG13 ' A' ' 59' ' ' VAL . 84.9 m-85 -85.5 46.41 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 58' ' ' TYR . 18.9 m -155.7 164.63 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.86 95.66 2.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 8' ' ' TYR . 12.0 tttm -47.11 107.78 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.7 mtp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.971 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.8 mp -135.97 157.05 76.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.94 43.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.32 20.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t -166.27 119.94 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.501 HG22 ' H ' ' A' ' 83' ' ' SER . 11.7 p -173.33 170.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.501 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -177.22 127.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.952 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.0 tp -159.09 119.87 3.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.92 148.45 49.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.25 170.11 15.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.2 t -171.12 146.74 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.391 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.9 p -162.64 156.44 20.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.85 96.44 0.1 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 179.23 6.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.8 m -143.69 171.89 13.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.72 170.88 21.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.83 152.14 18.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.608 ' CD1' HG21 ' A' ' 32' ' ' VAL . 30.4 m-85 -139.74 145.67 38.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -104.73 128.64 52.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.96 129.41 38.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.605 HD11 ' HB3' ' A' ' 60' ' ' GLU . 49.1 mt -81.79 -50.62 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -121.04 158.91 51.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 121.37 6.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CE2' ' O ' ' A' ' 15' ' ' GLU . 83.1 t80 -113.64 148.36 36.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.559 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -104.52 157.82 16.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.03 147.75 23.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.464 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 13.0 ttp -101.98 143.51 31.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.3 p -114.18 124.81 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 14' ' ' PHE . 19.1 p90 -143.75 168.66 19.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -126.45 137.1 53.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.3 p -40.23 129.97 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.11 46.85 2.99 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 53.3 m-20 -145.44 126.64 14.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.403 HD12 ' SD ' ' A' ' 62' ' ' MET . 50.2 mm -75.04 127.49 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.2 mt -115.48 129.83 71.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.43 93.36 9.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.608 HG21 ' CD1' ' A' ' 8' ' ' TYR . 38.8 t -75.0 110.34 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -77.08 83.28 3.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.15 -43.42 20.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -49.21 -56.77 8.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.5 m -61.7 125.86 25.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.2 t -136.01 155.21 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.87 -100.08 0.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.521 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 1.3 mm-40 -60.43 163.92 7.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -81.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.533 1.807 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.8 55.47 4.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.521 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 83.0 m95 -145.77 146.08 31.07 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 23.3 mt -128.23 132.34 48.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.497 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 8.0 t80 -100.58 141.48 33.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -155.88 155.82 26.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 m -114.33 115.09 26.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 0.793 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 28' ' ' ASP . 27.0 t80 -114.17 172.22 7.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' PHE . 2.3 mt-30 -34.99 110.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.33 36.73 0.1 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -140.02 120.14 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -136.17 110.24 8.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 22' ' ' MET . . . -155.48 -172.27 22.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.497 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 62.1 m95 -111.08 131.37 55.13 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 43' ' ' LEU . 53.9 p90 -121.03 161.76 38.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.01 143.79 29.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 27.8 p -86.17 57.26 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.324 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -167.02 31.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 1.6 m-85 -135.09 -42.07 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -77.52 171.14 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.605 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -134.63 100.19 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -40.52 101.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.403 ' SD ' HD12 ' A' ' 29' ' ' ILE . 27.2 ptm . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.9 mp -100.33 149.82 36.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 169.33 22.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 162.14 37.73 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.431 1.753 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.4 t -142.14 151.21 42.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.402 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.7 m -142.03 175.16 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 81.3 p -163.33 168.5 20.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.939 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.39 172.74 16.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.16 166.35 31.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.47 142.43 23.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.8 p -105.45 178.94 4.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.5 p -162.15 146.6 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.041 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -119.1 150.53 17.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -174.3 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.64 164.62 29.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.4 p -115.18 167.71 10.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.42 139.92 1.59 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.592 ' CD1' HG21 ' A' ' 32' ' ' VAL . 35.5 m-85 -143.2 144.39 32.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -102.35 128.71 48.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.408 ' CB ' ' CD1' ' A' ' 24' ' ' PHE . . . -61.92 116.08 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 60' ' ' GLU . 26.2 mt -67.04 -50.83 60.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -126.03 160.94 54.44 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 113.57 3.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.032 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 6.8 t80 -124.95 131.37 53.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -99.41 140.22 33.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.85 177.43 4.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.37 160.68 20.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m -131.7 123.0 26.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.408 ' CD1' ' CB ' ' A' ' 10' ' ' ALA . 16.0 p90 -151.91 164.46 37.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -114.33 146.51 40.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.1 p -45.23 138.24 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.73 -30.69 9.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.79 127.33 31.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 29' ' ' ILE . 43.4 mm -82.81 121.42 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.1 mt -106.23 142.98 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -103.97 93.09 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.592 HG21 ' CD1' ' A' ' 8' ' ' TYR . 73.9 t -73.51 152.09 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -119.7 76.9 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.11 -36.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -63.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.6 m -53.02 125.82 18.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.43 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 p -128.15 160.94 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.52 -100.76 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.531 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 0.5 OUTLIER -58.35 164.7 3.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.463 0.743 . . . . 0.0 110.29 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -87.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.768 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.38 57.15 5.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.531 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 81.1 m95 -144.72 137.33 26.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 42.2 mt -121.91 125.81 47.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -89.1 134.04 34.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.79 160.33 28.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 p -113.42 138.09 50.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.945 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' GLN . 24.3 t80 -145.49 172.23 13.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' ASN . 3.7 mt-30 -35.19 107.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 34.59 35.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' GLN . 21.6 m120 -138.03 111.48 8.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -134.48 111.27 9.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.17 -170.0 25.21 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -110.72 143.53 41.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 35.1 p90 -134.94 161.27 64.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 57' ' ' ASN . 18.3 Cg_endo -75.02 128.08 11.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.3 p -65.34 81.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 108.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 55' ' ' PRO . 46.3 t30 -165.77 -43.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.639 ' O ' HG13 ' A' ' 59' ' ' VAL . 93.0 m-85 -87.33 45.53 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 58' ' ' TYR . 15.3 m -158.42 158.62 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.429 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -135.38 130.65 35.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -66.21 99.12 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.4 ptm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 41.4 mt -110.03 100.56 44.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 154.82 43.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.42 12.81 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.54 1.811 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.4 t -144.46 152.77 41.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.352 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 83' ' ' SER . 8.0 p -165.94 166.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.403 ' N ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -170.84 150.97 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.442 HD13 ' H ' ' A' ' 85' ' ' SER . 0.1 OUTLIER -163.77 138.41 5.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.442 ' H ' HD13 ' A' ' 84' ' ' LEU . 85.9 p -151.94 164.64 36.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -167.6 147.67 5.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 39.9 m -152.51 133.74 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.59 148.49 27.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.84 99.24 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.14 7.65 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.7 173.15 11.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.9 t -134.84 -57.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.44 141.57 13.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.492 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 18.7 m-85 -133.98 144.77 48.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.04 122.51 41.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.62 116.69 5.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 60' ' ' GLU . 7.3 mt -62.32 -62.37 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -115.0 159.48 37.49 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.87 6.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.477 1.778 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.516 ' CD1' ' N ' ' A' ' 15' ' ' GLU . 24.0 t80 -124.1 156.98 35.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.516 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -133.43 143.06 48.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.83 167.75 14.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.1 ttm -102.8 161.1 14.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.8 p -130.49 123.9 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -153.63 168.72 25.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -124.63 145.85 49.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.3 p -48.15 141.45 6.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.47 40.58 8.31 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -140.24 129.67 24.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.467 HD12 ' SD ' ' A' ' 62' ' ' MET . 29.8 mm -74.77 123.53 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.5 mt -111.14 121.69 64.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -79.69 92.61 5.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 110.247 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.492 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 26.6 t -78.39 148.01 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -112.99 105.05 13.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -81.12 -18.81 45.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.86 18.16 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.547 HG21 ' CD2' ' A' ' 44' ' ' TYR . 20.0 m -114.75 131.85 56.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 38' ' ' GLY . 3.7 p -108.28 160.63 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.422 ' N ' HG22 ' A' ' 37' ' ' VAL . . . 167.61 -100.78 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 6.8 mm-40 -80.49 164.61 50.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -85.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.92 58.02 4.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.424 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 81.5 m95 -140.13 149.3 42.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.554 ' O ' ' CE1' ' A' ' 54' ' ' PHE . 88.3 mt -123.6 127.82 48.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 12.1 t80 -99.25 139.89 34.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.5 166.39 31.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 m -121.26 115.23 22.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.022 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' OE1' ' A' ' 48' ' ' GLN . 30.1 t80 -119.01 167.27 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.596 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.0 mp0 -35.4 112.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.32 34.22 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 74.1 m-20 -141.67 110.67 6.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.789 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -135.17 115.39 13.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.73 -170.6 28.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 52.6 m95 -107.14 128.98 54.88 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.554 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 40.1 p90 -119.22 160.23 42.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.81 12.65 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.529 1.805 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 22.1 p -67.06 88.47 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.266 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -174.86 -41.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.585 ' O ' HG13 ' A' ' 59' ' ' VAL . 95.5 m-85 -87.87 41.52 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 58' ' ' TYR . 12.6 m -156.84 131.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.537 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -114.7 110.98 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -50.16 100.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.467 ' SD ' HD12 ' A' ' 29' ' ' ILE . 24.5 ptm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.83 142.4 37.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 18.3 Cg_endo -75.02 154.68 42.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -75.01 177.14 9.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 p -132.6 157.49 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 p -119.94 150.05 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.75 156.05 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.05 176.4 12.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -177.45 173.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.22 162.64 18.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 55.1 m -157.52 124.47 5.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.05 172.88 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -160.21 156.96 28.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.12 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.05 2.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 84.1 p -140.08 170.73 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.0 p -106.66 167.28 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.69 126.87 1.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.772 ' CD1' HG21 ' A' ' 32' ' ' VAL . 16.8 m-85 -134.27 145.52 49.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -95.75 148.87 22.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.536 ' HB1' ' CD1' ' A' ' 24' ' ' PHE . . . -88.61 119.19 28.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 60' ' ' GLU . 37.9 mt -70.55 -54.91 10.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -119.95 157.49 52.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 111.44 3.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . 7.9 t80 -121.25 122.62 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.3 146.49 24.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.465 ' HB2' ' C ' ' A' ' 22' ' ' MET . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -100.05 171.15 8.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.465 ' C ' ' HB2' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -121.32 176.2 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.952 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.1 m -131.3 131.59 43.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.536 ' CD1' ' HB1' ' A' ' 10' ' ' ALA . 28.0 p90 -155.55 145.83 21.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -104.09 158.2 16.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.6 p -60.34 128.71 38.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.68 38.55 4.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -134.34 125.73 28.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 29' ' ' ILE . 35.3 mm -72.87 119.62 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.413 HD11 ' CG ' ' A' ' 24' ' ' PHE . 8.1 mt -104.47 127.97 58.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -83.25 87.41 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.772 HG21 ' CD1' ' A' ' 8' ' ' TYR . 53.3 t -68.86 157.68 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.13 92.84 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -15.1 27.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -79.17 -66.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.0 m -70.66 126.5 29.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.5 p -144.33 151.52 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.23 -98.82 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.43 1.081 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.5 160.04 83.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -14.22 21.21 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.787 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -125.47 46.3 1.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.505 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 66.0 m95 -153.01 159.55 42.91 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 78.0 mt -142.92 136.11 28.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 5.6 t80 -105.3 139.7 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.84 -176.3 26.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.2 m -136.53 115.55 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 48' ' ' GLN . 24.4 t80 -115.72 172.24 7.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ASN . 3.6 mt-30 -35.13 109.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 34.93 34.82 0.05 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' GLN . 24.6 m120 -140.55 114.38 8.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -134.01 114.6 13.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.84 -173.44 30.5 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.404 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 53.2 m95 -105.15 132.68 51.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 35.4 p90 -123.35 161.04 47.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.505 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.03 132.15 15.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.5 p -71.74 94.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 108.285 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 170.29 -47.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.505 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.0 m-85 -60.08 -19.87 55.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -101.91 165.98 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.551 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -139.5 115.15 10.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -53.79 109.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.2 ptp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 111.035 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.5 142.7 45.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.56 42.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 174.62 12.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.7 p -109.87 168.02 9.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.3 m -112.8 154.88 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.72 169.55 16.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.67 166.63 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.9 p -117.28 167.43 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.67 175.68 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.6 t -143.9 150.23 38.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 p -111.94 172.19 7.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -122.3 154.83 16.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -177.55 3.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.43 170.45 22.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.6 p -119.91 161.92 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.02 119.27 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.475 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 12.4 m-85 -126.29 143.68 51.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -101.83 138.14 39.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' HB1' ' CD1' ' A' ' 24' ' ' PHE . . . -76.25 120.78 22.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 60' ' ' GLU . 25.7 mt -70.2 -55.07 10.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -122.95 160.16 50.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.62 4.07 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.508 1.793 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 15' ' ' GLU . 81.5 t80 -115.13 148.02 39.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.59 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -107.23 156.94 18.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -117.6 157.11 26.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.3 ttp -114.86 151.73 33.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.44 131.88 56.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.401 ' CD1' ' HB1' ' A' ' 10' ' ' ALA . 13.6 p90 -151.16 173.15 14.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -126.09 147.77 49.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 109.343 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.6 p -52.71 132.36 36.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.18 41.72 4.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -140.04 127.15 20.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.764 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.6 mm -75.85 119.65 24.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -107.44 134.01 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -90.9 94.15 9.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.475 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 37.7 t -78.69 152.35 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -123.64 92.51 3.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.59 55.76 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -149.02 -47.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.3 m -56.07 123.96 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.33 148.14 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.409 ' HA3' ' CH2' ' A' ' 53' ' ' TRP . . . 167.25 178.51 39.58 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -40.71 160.15 0.14 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.539 1.81 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.51 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -81.53 50.5 4.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.51 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 72.8 m95 -154.32 122.75 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 16.9 mt -110.86 118.54 36.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.566 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 42.3 t80 -82.12 115.35 21.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.81 157.09 19.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -115.85 115.33 26.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 26.9 t80 -117.69 172.28 7.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' ASN . 2.6 mt-30 -35.73 112.51 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.68 33.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.6 m-80 -137.36 117.55 13.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -135.72 112.4 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.76 -169.87 27.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 44' ' ' TYR . 39.4 m95 -113.33 137.92 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 43' ' ' LEU . 28.3 p90 -127.99 160.47 61.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.72 14.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.38 94.5 2.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.314 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.6 t30 177.45 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -83.54 3.99 30.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.18 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.0 m -117.44 158.68 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -136.41 101.12 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -47.65 122.67 5.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 111.011 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 pp -134.37 154.31 79.79 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 18.3 Cg_endo -75.01 149.11 36.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -75.06 176.35 10.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 p -125.39 178.12 5.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.42 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.8 p -160.91 129.49 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.541 ' O ' HD22 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -138.32 145.64 41.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 83' ' ' SER . 1.0 OUTLIER -132.5 -166.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.86 178.27 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -156.44 168.49 27.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 77.8 p -139.34 -174.46 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.88 170.61 17.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -138.4 111.14 0.78 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -178.97 4.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 t -134.41 174.39 10.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.0 p -128.42 172.0 11.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.07 127.76 7.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.557 ' CD1' HG21 ' A' ' 32' ' ' VAL . 37.7 m-85 -117.61 147.51 42.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.83 132.68 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.56 120.95 20.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.453 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 48.6 mt -69.67 -51.34 35.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -126.25 162.23 47.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 128.4 11.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 46.9 t80 -126.19 154.9 42.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.521 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 2.8 mp0 -125.7 150.78 47.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -117.19 168.86 9.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.0 ttp -108.69 145.58 34.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.92 113.3 21.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -130.8 168.56 17.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -122.22 147.09 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.7 p -50.37 136.35 20.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.27 46.81 5.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -142.3 128.89 20.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.733 HG22 ' OE1' ' A' ' 31' ' ' GLN . 33.6 mm -74.61 122.76 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.3 mt -110.6 115.74 50.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.733 ' OE1' HG22 ' A' ' 29' ' ' ILE . 1.5 mp0 -74.72 87.5 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 8' ' ' TYR . 24.6 t -66.17 137.66 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.372 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -101.62 98.9 9.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.69 49.22 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -138.61 -51.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.3 m -56.51 128.89 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.45 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.8 p -83.87 156.09 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.363 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.97 -168.85 41.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -44.32 151.56 0.56 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.244 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -39.24 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -95.05 50.1 1.94 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 68.7 m95 -156.02 153.51 29.58 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.587 ' O ' ' CE1' ' A' ' 54' ' ' PHE . 17.8 mt -134.55 127.01 30.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 21.5 t80 -101.67 128.19 48.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.63 160.13 27.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -112.15 116.18 30.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.028 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' GLN . 26.5 t80 -113.6 172.21 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ASN . 2.2 mt-30 -34.96 108.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 34.88 34.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' GLN . 24.1 m120 -139.39 121.12 15.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -136.01 117.04 14.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -158.76 -171.97 25.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 66.2 m95 -111.84 124.67 52.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 48.4 p90 -115.13 161.92 26.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.5 Cg_endo -74.99 135.17 18.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.783 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.426 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 27.1 p -78.71 91.82 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 108.309 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.426 ' OD1' ' C ' ' A' ' 56' ' ' CYS . 5.1 p-10 164.32 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 2.8 m-85 -77.0 -16.66 59.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.9 m -98.18 165.65 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.453 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -137.06 110.75 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -53.56 101.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.5 ptm . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.02 145.65 98.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.28 16.69 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 127.37 10.62 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.4 t -129.38 142.18 50.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.442 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 p -171.82 150.97 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.32 128.15 47.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.643 HD23 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -84.38 155.85 22.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.2 141.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -163.15 168.8 20.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.1 t -155.59 159.22 39.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.0 p -116.42 167.52 10.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -150.59 97.96 0.18 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.13 10.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.81 173.9 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t -172.75 167.89 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.05 113.62 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -121.35 149.26 43.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.29 120.69 34.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.09 124.74 17.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' A' ' 60' ' ' GLU . 27.5 mt -81.88 -43.12 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -134.5 155.74 79.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 105.76 2.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.789 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -105.91 149.98 26.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -125.6 146.93 49.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -135.4 161.59 35.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -103.44 160.67 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.43 112.66 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -133.77 176.09 8.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -126.53 148.64 49.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.73 156.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.012 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.17 39.72 92.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.491 1.12 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -141.9 121.23 13.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 0.807 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.7 mm -63.52 131.73 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' VAL . 5.0 mm -110.87 107.52 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -67.02 74.37 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' ILE . 93.7 t -75.2 136.99 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.36 110.59 22.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -87.98 46.4 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -137.93 -56.06 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.0 m -53.26 125.94 19.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.2 p -103.09 160.56 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.98 -100.8 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.56 1.163 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.537 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 1.5 mm-40 -71.1 163.95 61.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -85.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.82 59.3 4.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.537 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 85.1 m95 -143.05 138.23 29.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.592 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 81.9 mt -114.93 124.2 51.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 25.4 t80 -97.02 132.64 42.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.65 179.71 24.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.5 p -130.32 118.14 20.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.446 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 31.6 t80 -122.18 172.32 8.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.446 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 1.7 mt-30 -35.22 109.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.36 34.49 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.143 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' GLN . 20.4 m120 -138.1 112.95 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -134.67 110.47 9.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.49 -169.96 27.71 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.443 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 32.2 m95 -107.38 149.2 28.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 53.9 p90 -143.64 161.2 47.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.04 21.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.536 1.808 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.5 p -78.64 90.68 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.303 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 4.7 p-10 -172.44 -41.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.48 ' O ' HG13 ' A' ' 59' ' ' VAL . 95.9 m-85 -85.23 48.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 58' ' ' TYR . 17.9 m -154.86 160.47 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.436 ' HB3' HD21 ' A' ' 11' ' ' LEU . 2.8 pt-20 -135.75 104.75 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -47.95 103.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 ptp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -138.91 154.78 73.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.83 17.56 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.455 1.766 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.25 35.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.7 m -108.3 140.97 40.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.5 m -54.53 179.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.8 p -120.53 170.89 8.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.98 128.12 20.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.3 p -115.61 170.19 8.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -148.75 177.86 9.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -166.77 166.88 15.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.5 p -153.35 174.27 14.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -156.53 152.45 23.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -172.73 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 110.958 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 88.4 p -149.98 161.49 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 t -131.08 169.04 16.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.56 127.0 3.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.633 ' CD1' HG21 ' A' ' 32' ' ' VAL . 20.3 m-85 -134.83 144.61 47.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.28 134.01 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -75.38 123.32 25.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 60' ' ' GLU . 20.3 mt -74.78 -47.92 28.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -123.07 159.83 52.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 120.5 6.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -113.25 168.09 10.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -144.66 154.95 43.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -99.65 149.32 23.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.482 ' CE ' ' O ' ' A' ' 45' ' ' GLY . 0.7 OUTLIER -101.47 139.43 37.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.4 p -114.27 133.78 55.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.436 ' CE1' ' HB1' ' A' ' 10' ' ' ALA . 5.0 p90 -149.33 170.53 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -118.71 147.97 43.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.7 p -53.62 130.18 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.33 43.98 3.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -140.09 128.18 22.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.775 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mm -77.51 119.18 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.0 mt -107.49 119.46 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -77.39 86.53 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.633 HG21 ' CD1' ' A' ' 8' ' ' TYR . 64.3 t -68.74 140.13 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.16 94.84 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.71 -29.64 70.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -54.43 43.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.8 m -55.45 127.59 30.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -88.37 157.79 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.489 ' HA3' ' CH2' ' A' ' 53' ' ' TRP . . . 174.44 -172.92 45.78 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -43.13 164.65 0.13 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -61.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.578 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -83.47 47.75 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 71.2 m95 -156.65 126.87 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.496 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 7.4 mt -119.5 133.36 55.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.528 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 17.0 t80 -89.58 132.09 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' CE ' ' A' ' 22' ' ' MET . . . -143.01 149.62 21.51 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.5 p -107.74 127.16 53.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 48' ' ' GLN . 23.0 t80 -129.66 172.12 11.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ASN . 1.8 mt-30 -35.36 111.47 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.41 34.29 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.2 m-80 -137.96 115.98 11.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 2.8 m-85 -135.54 111.43 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.94 -173.15 32.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.528 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 77.5 m95 -102.54 133.14 48.0 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.496 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 7.4 p90 -123.91 160.64 50.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -74.98 127.95 11.11 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.3 p -63.76 -23.63 67.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 108.346 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.434 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 5.7 p-10 -84.18 54.84 3.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.555 ' CD2' ' HG2' ' A' ' 55' ' ' PRO . 1.8 m-85 -163.47 -43.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.3 m -82.04 161.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.525 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -122.47 121.91 37.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 8' ' ' TYR . 13.6 tttt -62.4 98.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 17.4 ptm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.981 HD13 ' HD2' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -102.47 139.17 19.97 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.981 ' HD2' HD13 ' A' ' 78' ' ' LEU . 18.3 Cg_endo -74.97 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t -130.06 145.39 51.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.17 125.3 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.2 p -133.55 172.05 13.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.67 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -151.29 163.17 39.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.486 ' N ' HD22 ' A' ' 84' ' ' LEU . 60.8 p -141.55 -178.87 5.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -139.27 173.22 11.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.5 m -141.69 131.51 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.366 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.25 173.02 6.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -139.6 102.06 0.33 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.31 8.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.75 171.7 12.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.98 168.22 13.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 32' ' ' VAL . 4.1 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.95 106.04 3.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.519 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 19.4 m-85 -122.68 170.15 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -127.38 105.87 8.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 26' ' ' SER . . . -50.64 122.88 7.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.785 HD11 ' HB3' ' A' ' 60' ' ' GLU . 69.8 mt -80.88 -48.87 11.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -126.45 154.8 75.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 108.3 2.69 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.445 1.761 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CE2' ' O ' ' A' ' 15' ' ' GLU . 52.9 t80 -95.34 167.88 11.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.112 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.456 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -127.56 163.66 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 21' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 2.7 mt-10 -117.07 153.16 33.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.44 162.84 14.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.1 p -122.77 126.27 47.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.994 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.555 ' HB2' HD11 ' A' ' 30' ' ' ILE . 15.1 p90 -142.08 145.1 33.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -100.19 140.42 34.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 82.4 p -40.61 151.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.033 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.68 -53.44 4.54 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -44.86 126.13 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.763 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.435 HD12 ' SD ' ' A' ' 62' ' ' MET . 44.9 mm -71.36 125.77 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.555 HD11 ' HB2' ' A' ' 24' ' ' PHE . 8.4 mm -100.35 106.74 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -70.64 73.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.519 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 70.1 t -72.33 139.67 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.14 90.69 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.1 -26.46 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -57.34 -56.93 15.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.9 m -62.89 125.81 25.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -135.24 156.07 38.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.31 -102.08 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -45.96 163.43 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -88.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.93 57.35 4.83 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -147.81 154.65 40.75 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 54' ' ' PHE . 17.4 mt -138.52 131.2 29.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -98.69 135.68 39.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.82 -176.89 19.21 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -134.23 114.99 13.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.055 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' OE1' ' A' ' 48' ' ' GLN . 30.8 t80 -119.06 167.71 11.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.596 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.0 mt-30 -35.05 111.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.2 34.43 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' GLN . 25.1 m120 -141.76 111.32 6.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -137.39 115.82 11.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.5 -171.57 29.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -98.5 123.88 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 55.1 p90 -121.13 160.79 43.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.01 137.29 21.5 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.459 ' HA ' HD12 ' A' ' 43' ' ' LEU . 23.3 p -68.34 -29.16 67.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 108.278 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -79.74 55.08 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 1.0 OUTLIER -159.35 -43.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.455 HG21 ' HE2' ' A' ' 54' ' ' PHE . 33.7 m -89.35 171.38 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.785 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -141.74 122.6 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.088 . . . . 0.0 110.258 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -66.78 97.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.435 ' SD ' HD12 ' A' ' 29' ' ' ILE . 9.7 ptm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.624 HD23 ' H ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.624 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -107.05 159.58 29.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 18.5 Cg_endo -74.95 152.98 41.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 18.4 Cg_endo -74.99 170.07 21.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 110.993 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.6 t -114.55 150.88 34.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.7 p -83.63 157.71 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.9 169.93 16.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.959 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 tp -121.98 170.93 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.9 p -133.49 167.4 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.78 175.34 9.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 73.3 p -142.04 178.44 7.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.0 p -153.21 172.46 16.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -141.54 153.12 23.88 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.561 1.163 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -177.14 3.25 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.07 165.51 35.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.5 p -115.53 168.22 10.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.62 142.65 13.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.559 ' CD1' ' CG2' ' A' ' 32' ' ' VAL . 19.2 m-85 -134.49 143.63 47.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -97.85 143.67 28.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HB1' ' HD2' ' A' ' 24' ' ' PHE . . . -80.96 121.46 26.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 60' ' ' GLU . 12.9 mt -75.53 -48.6 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -127.95 161.99 52.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 120.41 6.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -99.5 167.74 10.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -133.5 134.23 43.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.432 ' CB ' ' HB3' ' A' ' 21' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HB3' ' CB ' ' A' ' 16' ' ' ALA . 11.4 mt-10 -85.82 146.12 26.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.459 ' CG ' ' HB3' ' A' ' 50' ' ' ASN . 2.7 ttm -102.64 150.09 23.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.3 p -115.47 132.33 56.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.413 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 14.3 p90 -152.16 156.16 39.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -113.61 139.27 49.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.7 p -40.36 125.2 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.77 44.9 2.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 80.7 m-20 -141.48 120.22 12.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.8 mm -71.46 124.4 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.7 mt -112.07 134.59 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -92.44 93.34 8.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.329 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.559 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 46.2 t -74.91 125.27 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.5 79.0 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -47.13 -32.31 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -55.8 -60.36 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.8 m -50.84 124.33 10.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -114.42 162.55 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.58 -99.92 0.15 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.42 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 5.0 mm-40 -69.35 165.09 43.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.415 ' CD ' ' CD ' ' A' ' 39' ' ' GLU . 18.4 Cg_endo -75.02 -85.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.43 57.23 5.03 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.508 1.13 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.42 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 90.4 m95 -143.67 125.75 15.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.589 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 23.6 mt -109.12 116.93 32.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -83.95 116.0 22.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.03 158.67 16.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.3 p -117.89 115.65 25.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.79 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 28' ' ' ASP . 21.2 t80 -118.8 172.15 7.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' PHE . 2.4 mt-30 -35.16 110.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.52 36.39 0.1 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.459 ' HB3' ' CG ' ' A' ' 22' ' ' MET . 3.2 m-80 -138.92 119.43 13.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 0.733 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -137.2 114.2 10.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.63 -169.88 27.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -112.04 152.32 28.32 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.589 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 31.4 p90 -145.47 160.43 45.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 130.02 12.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' ' 43' ' ' LEU . 44.7 t -71.75 77.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -160.22 -45.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -86.5 43.35 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.426 ' N ' HD12 ' A' ' 11' ' ' LEU . 29.8 m -151.02 140.5 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.506 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -118.65 94.42 4.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.264 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -41.65 132.21 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.1 tt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.09 165.78 16.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 124.53 8.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 171.36 18.46 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.3 p -95.17 174.25 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.442 HG22 ' H ' ' A' ' 83' ' ' SER . 8.5 p -132.83 168.29 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 82' ' ' VAL . 71.2 p -160.49 161.75 32.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.47 177.97 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.75 171.35 18.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -135.11 164.25 28.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 38.7 m -149.04 125.26 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.7 p -96.14 174.95 6.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -154.06 154.07 25.26 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -171.94 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.7 p -145.63 166.59 25.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m -144.21 169.46 17.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 110.949 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.93 118.0 0.97 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.556 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 18.1 m-85 -125.52 166.6 16.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ttp85 -116.77 118.38 32.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.8 132.6 31.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 60' ' ' GLU . 15.1 mt -87.87 -44.54 10.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -143.15 156.42 61.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 101.77 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.596 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 2.3 t80 -104.67 138.86 40.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.519 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 4.1 tt0 -91.74 141.33 28.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.245 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.596 ' OE2' ' CZ ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -93.29 157.44 16.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.439 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 2.0 ttm -99.46 158.15 15.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 76.1 p -123.98 131.32 53.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -155.56 173.77 16.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -130.13 145.45 51.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -40.34 158.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.44 44.56 97.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.601 ' OD1' ' CE1' ' A' ' 47' ' ' PHE . 2.1 t0 -134.64 139.37 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.452 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 42.6 mm -86.49 116.31 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.4 mm -101.21 110.45 28.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -70.05 73.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.556 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 61.4 t -74.27 141.16 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -105.97 104.99 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.07 52.71 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.42 -51.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 m -51.27 128.58 22.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 p -106.29 146.08 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.23 -100.87 0.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.575 1.172 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 5.5 mm-40 -70.57 161.64 75.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 0.747 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -76.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.42 62.48 2.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.425 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 85.6 m95 -147.49 140.91 25.36 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 93.7 mt -119.12 119.44 34.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -92.82 126.77 38.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.37 -168.56 11.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.2 p -144.52 115.29 7.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CE1' ' OD1' ' A' ' 28' ' ' ASP . 45.6 t80 -120.67 172.32 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.496 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.48 111.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.84 33.18 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' GLN . 5.8 m-80 -137.08 113.56 10.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -135.8 109.4 7.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.97 -170.16 26.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -108.41 146.74 32.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.695 ' HE1' HG21 ' A' ' 59' ' ' VAL . 45.6 p90 -140.48 160.72 58.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.47 14.32 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.6 p -70.73 64.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 108.337 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -143.27 -47.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.613 ' O ' HG13 ' A' ' 59' ' ' VAL . 88.8 m-85 -86.48 43.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.695 HG21 ' HE1' ' A' ' 54' ' ' PHE . 19.5 m -158.7 137.13 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.484 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -113.53 123.47 50.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -69.83 106.29 3.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.3 ptp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 111.013 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 0.5 OUTLIER -111.18 143.85 29.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 78' ' ' LEU . 18.3 Cg_endo -74.98 155.5 43.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.7 9.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -160.81 119.77 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 30.8 m -125.97 177.86 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.58 170.99 14.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.77 151.51 22.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 p -157.74 163.99 37.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.66 174.95 9.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.7 t -173.05 136.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.7 t -128.35 173.65 10.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.68 116.94 0.75 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.534 1.147 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 177.62 8.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.6 p -137.8 171.47 14.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.7 p -145.6 171.04 15.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.555 1.16 . . . . 0.0 111.009 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.407 ' HB3' ' CE1' ' A' ' 8' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.01 94.15 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.517 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 27.2 m-85 -87.83 169.77 11.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.427 ' CB ' ' HG3' ' A' ' 62' ' ' MET . 44.8 ttp180 -128.48 114.65 17.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.9 119.67 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.782 HD11 ' HB2' ' A' ' 60' ' ' GLU . 31.4 mt -77.78 -46.21 22.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -127.29 154.19 77.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.3 2.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.451 ' HB2' ' CE2' ' A' ' 58' ' ' TYR . 6.0 t80 -114.92 124.94 52.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.53 157.42 16.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.934 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.78 156.98 20.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.5 ttp -91.44 151.65 20.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 p -124.99 133.18 53.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -162.85 158.64 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -115.66 150.23 37.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -50.77 159.84 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.55 26.65 74.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -133.56 121.36 22.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 mm -63.13 138.25 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mm -116.72 108.33 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -69.8 73.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.517 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 84.9 t -70.14 139.73 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.27 105.73 16.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -83.39 51.53 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -143.71 -47.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.519 HG21 ' CD2' ' A' ' 44' ' ' TYR . 53.6 m -63.59 132.52 51.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.9 t -118.93 148.09 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.424 ' HA3' ' CH2' ' A' ' 53' ' ' TRP . . . -166.76 -100.98 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.601 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -75.23 163.72 65.96 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -81.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.65 55.25 4.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.601 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 80.4 m95 -145.61 153.24 40.83 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.543 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 13.7 mt -132.86 123.99 27.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.519 ' CD2' HG21 ' A' ' 36' ' ' THR . 25.7 t80 -96.32 126.61 41.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.15 -175.57 14.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 m -133.71 115.31 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 0.0 109.988 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 33.7 t80 -119.58 172.42 7.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.467 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 3.8 mt-30 -35.04 108.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.86 33.42 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' GLN . 18.2 m120 -136.86 114.24 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -135.09 109.84 8.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.26 -169.89 24.14 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.458 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 72.7 m95 -101.25 124.97 47.79 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 24.0 p90 -120.85 160.7 43.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.03 131.19 13.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.427 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.0 p -65.68 -22.88 66.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 108.308 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.411 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 7.2 p-10 -84.53 53.55 2.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.551 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 1.4 m-85 -159.96 -43.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 m -87.8 156.7 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.782 ' HB2' HD11 ' A' ' 11' ' ' LEU . 1.2 tt0 -124.4 130.2 52.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -69.82 115.25 8.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.427 ' HG3' ' CB ' ' A' ' 9' ' ' ARG . 2.0 mtm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.28 128.21 93.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 152.52 40.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.808 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -166.11 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.7 t -138.77 141.62 38.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.411 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.7 t -134.51 139.51 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 m -123.07 163.69 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 tp -144.26 100.55 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.0 p -72.35 173.38 8.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.966 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.33 158.68 44.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.8 p -118.95 166.3 13.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.3 m -167.93 171.44 9.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.044 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.55 156.97 21.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -174.57 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.3 p -161.23 164.86 30.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.29 165.96 10.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.36 131.8 2.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.472 ' CD1' HG21 ' A' ' 32' ' ' VAL . 18.9 m-85 -133.13 143.8 49.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -99.24 136.45 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.09 120.12 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.416 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 33.2 mt -71.69 -55.86 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -125.71 158.39 65.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.3 12.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 3.2 t80 -139.61 140.57 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.477 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -102.47 143.17 32.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.417 ' CB ' ' HB3' ' A' ' 21' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HB3' ' CB ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -99.74 157.61 16.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.4 ttp -107.62 142.89 36.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.5 p -113.23 134.41 54.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -155.76 -179.74 8.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -135.91 147.54 48.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.0 p -52.96 134.19 37.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.23 35.58 5.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.532 ' HB3' ' CE1' ' A' ' 47' ' ' PHE . 17.6 m-20 -137.61 122.86 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.3 mm -73.59 120.01 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.7 mt -106.11 119.66 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -78.85 91.31 4.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.472 HG21 ' CD1' ' A' ' 8' ' ' TYR . 76.8 t -77.3 150.37 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -117.07 82.74 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -43.4 -45.76 6.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -42.54 -61.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.7 m -53.34 127.11 23.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 38' ' ' GLY . 13.0 p -127.63 161.61 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.409 ' N ' HG22 ' A' ' 37' ' ' VAL . . . 177.28 -99.56 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.51 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -68.15 165.04 36.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 110.258 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -78.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -86.87 59.02 4.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.51 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 81.8 m95 -153.42 125.41 7.87 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 15.1 mt -114.18 135.63 53.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.597 ' CD1' ' CD1' ' A' ' 53' ' ' TRP . 27.9 t80 -99.73 137.97 37.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.57 -179.56 28.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.1 m -129.48 115.9 18.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 28' ' ' ASP . 42.5 t80 -115.31 172.22 7.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.495 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.05 109.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.45 36.14 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.2 m-80 -140.13 119.87 13.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -134.57 109.89 8.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.76 -170.34 25.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.597 ' CD1' ' CD1' ' A' ' 44' ' ' TYR . 20.3 m95 -111.13 147.03 35.77 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 46.6 p90 -136.44 160.99 64.64 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 135.63 19.23 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.0 t -79.14 94.41 5.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 108.321 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 4.8 p-10 -178.93 -39.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -90.19 23.65 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.0 m -131.33 154.57 40.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -133.57 103.32 5.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -50.79 115.06 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.7 mtm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 111.051 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 mt -118.23 115.09 36.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 160.25 40.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.543 1.812 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -178.19 4.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.7 m -156.02 136.35 13.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.3 m -125.79 176.59 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.7 p -162.09 171.99 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 1.0 HD13 ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -174.55 146.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.5 ' N ' HD22 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -138.89 173.68 11.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -161.92 176.05 11.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.4 t -163.32 165.54 24.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 110.391 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.6 p -168.42 171.09 9.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.59 101.78 0.18 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.493 1.12 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -179.36 4.91 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.512 1.796 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.0 t -141.42 175.19 9.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.7 172.09 14.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.55 76.88 1.0 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.574 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 18.8 m-85 -83.99 166.51 17.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.418 ' HB3' ' CG ' ' A' ' 60' ' ' GLU . 5.3 ttp85 -118.4 129.24 55.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.4 120.68 16.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.746 HD11 ' HB3' ' A' ' 60' ' ' GLU . 14.0 mt -80.65 -46.15 16.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -127.96 155.16 78.12 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 103.15 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.787 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -85.81 164.93 17.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -137.17 115.26 11.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.08 . . . . 0.0 110.311 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.0 t0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.42 154.86 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.7 ttm -98.37 157.28 16.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.0 p -133.96 125.8 28.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -147.28 167.31 24.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -109.65 158.02 18.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.9 p -67.49 136.87 55.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.085 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.12 30.68 12.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.599 ' OD1' ' CE1' ' A' ' 47' ' ' PHE . 13.2 t70 -123.04 161.58 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.446 HD12 ' SD ' ' A' ' 62' ' ' MET . 43.8 mm -100.58 115.56 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mm -97.32 107.03 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -69.45 73.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.574 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 92.2 t -70.04 127.14 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.32 88.37 4.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.64 -19.23 9.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -58.16 -56.99 14.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.2 m -63.91 131.6 48.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.398 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.14 155.22 36.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.5 -103.24 0.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 42' ' ' TRP . 0.7 OUTLIER -50.44 161.43 0.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.267 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -85.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.037 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.22 59.42 4.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.466 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 64.4 m95 -143.81 152.49 41.27 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 20.9 mt -133.36 115.06 14.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -84.48 134.65 34.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.81 167.95 27.03 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -125.33 115.36 20.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.599 ' CE1' ' OD1' ' A' ' 28' ' ' ASP . 45.0 t80 -120.38 172.19 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.498 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.28 110.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.75 33.85 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.4 m-80 -135.53 113.49 11.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 0.791 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -136.96 109.23 7.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.71 -169.85 27.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -104.29 139.03 39.86 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.64 ' CE1' HG21 ' A' ' 59' ' ' VAL . 7.0 p90 -135.11 161.05 65.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.04 131.02 13.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.552 1.817 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.417 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . 25.2 p -64.92 -19.44 65.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.273 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.503 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 2.8 p-10 -84.63 51.19 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 2.8 m-85 -159.46 -42.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.64 HG21 ' CE1' ' A' ' 54' ' ' PHE . 30.8 m -91.94 157.02 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.746 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -120.92 143.08 49.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -80.55 112.47 17.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.446 ' SD ' HD12 ' A' ' 29' ' ' ILE . 33.6 mtp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mp -139.15 154.66 72.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -165.37 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 m -114.42 161.3 18.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.7 m -89.14 176.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.42 177.64 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 tp -151.48 100.52 2.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.37 166.73 12.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -146.3 169.04 19.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.3 p -146.12 -179.13 6.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 179.35 174.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.42 156.35 27.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -169.3 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.63 -58.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.958 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.11 161.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.143 . . . . 0.0 110.961 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.74 89.4 0.15 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.763 ' CD1' HG21 ' A' ' 32' ' ' VAL . 6.1 m-85 -80.63 143.8 32.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -108.44 122.28 46.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.445 ' HB1' ' CD1' ' A' ' 24' ' ' PHE . . . -68.67 123.9 22.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 33.0 mt -79.55 -51.63 9.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -120.66 160.7 43.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.0 11.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 39.1 t80 -126.29 156.31 40.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.592 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -126.19 148.97 49.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.485 ' OE2' ' CZ ' ' A' ' 14' ' ' PHE . 2.9 mt-10 -85.7 167.11 15.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.3 ttp -109.23 145.23 36.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 p -114.25 118.2 33.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.445 ' CD1' ' HB1' ' A' ' 10' ' ' ALA . 31.7 p90 -141.42 164.53 29.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -121.16 141.38 50.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 p -40.57 139.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.6 44.99 7.04 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -141.14 126.7 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.2 mm -79.72 125.32 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.1 mt -110.9 127.06 68.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -81.51 87.35 6.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.763 HG21 ' CD1' ' A' ' 8' ' ' TYR . 24.2 t -67.92 122.03 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.12 79.75 4.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -47.66 -30.39 3.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -54.58 -61.39 2.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.993 HG21 ' CD2' ' A' ' 44' ' ' TYR . 15.9 m -50.81 130.18 24.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.383 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 p -122.55 162.35 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.78 -99.22 0.14 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 6.5 mm-40 -69.36 162.15 68.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.784 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -79.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.65 60.28 3.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 89.6 m95 -147.39 121.87 9.73 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -94.37 146.78 23.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.993 ' CD2' HG21 ' A' ' 36' ' ' THR . 33.5 t80 -127.25 110.2 12.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.6 176.2 18.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.6 p -119.11 114.9 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.451 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 29.1 t80 -114.32 172.27 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.451 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.0 mt-30 -34.94 105.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 36.05 34.47 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' GLN . 25.0 m120 -141.12 123.42 15.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -139.62 117.69 11.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.73 -169.78 27.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -106.1 174.47 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.625 ' CE1' HG21 ' A' ' 59' ' ' VAL . 4.6 p90 -174.8 159.74 2.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' ASN . 18.3 Cg_endo -75.01 128.72 11.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.435 1.755 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 29.2 p -67.58 72.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 108.271 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' PRO . 62.4 t30 -153.04 -46.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.437 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 69.7 m-85 -73.31 -1.71 19.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.625 HG21 ' CE1' ' A' ' 54' ' ' PHE . 35.3 m -122.44 -178.19 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -160.16 102.49 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -45.45 130.38 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -113.74 130.5 23.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.56 18.07 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 132.51 15.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.3 t -163.14 153.39 16.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.6 p -154.4 135.48 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 m -123.71 154.66 39.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.84 168.68 18.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.62 165.03 33.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -128.38 172.92 10.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.2 t -161.39 163.98 30.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.68 173.16 10.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 110.046 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.21 152.6 23.91 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.61 2.97 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.52 162.96 6.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.2 158.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.9 137.53 6.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -124.15 140.22 53.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.6 ttp85 -96.57 126.19 41.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.61 120.75 13.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 mt -78.66 -49.11 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -125.66 156.01 71.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 18.4 Cg_endo -74.99 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.445 1.76 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.455 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 4.6 t80 -119.42 139.08 52.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.4 149.54 39.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.32 165.04 11.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.9 ttm -99.54 156.07 17.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 p -119.86 120.64 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -149.73 175.36 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.0 m-80 -126.12 162.4 25.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.2 p -62.29 134.31 56.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.31 46.93 5.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -139.35 123.4 17.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.743 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.5 mm -74.51 121.79 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.1 mt -107.21 112.9 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.05 87.32 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.2 t -74.56 144.08 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.96 95.71 5.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -37.21 62.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.25 -57.63 5.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.567 HG21 ' CD2' ' A' ' 44' ' ' TYR . 18.8 m -54.67 132.55 45.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.368 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.96 155.06 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.4 -103.57 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.421 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 6.6 mm-40 -57.44 163.96 3.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -82.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.514 1.797 . . . . 0.0 111.057 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.92 59.82 3.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.454 ' C ' HD22 ' A' ' 43' ' ' LEU . 93.4 m95 -148.35 119.82 7.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.601 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -97.33 162.3 13.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CD2' HG21 ' A' ' 36' ' ' THR . 38.6 t80 -133.75 114.55 13.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.01 174.98 20.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.444 1.09 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.0 m -117.29 114.95 24.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 110.023 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.5 ' CZ ' ' NE2' ' A' ' 48' ' ' GLN . 40.3 t80 -114.45 171.88 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.5 ' NE2' ' CZ ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -34.83 106.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 36.0 35.53 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' GLN . 24.7 m120 -142.39 120.73 12.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -136.36 110.88 8.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.73 -170.07 28.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 52.8 m95 -94.28 174.19 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 43' ' ' LEU . 4.3 p90 -173.53 159.11 3.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.03 126.02 9.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . 0.458 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 11.8 p -63.74 -16.75 61.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -75.06 -14.47 60.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.575 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 6.0 m-85 -102.26 28.27 6.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 58' ' ' TYR . 33.4 m -157.33 161.72 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.97 92.26 3.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -42.13 101.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.9 ptm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 79' ' ' PRO . 3.2 pp -68.46 154.14 94.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 18.3 Cg_endo -75.01 149.6 36.89 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -74.98 -175.59 2.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.782 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.2 m -121.22 136.61 54.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.9 m -109.48 173.53 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.6 p -148.1 176.17 10.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.59 161.37 13.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.5 p -168.37 164.48 12.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -174.0 142.51 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.2 p -107.53 -174.96 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.369 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 m -166.46 162.69 17.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.52 129.74 2.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -175.92 2.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.0 170.84 20.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.74 170.57 15.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 110.954 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.49 137.86 2.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.527 ' CD1' HG21 ' A' ' 32' ' ' VAL . 27.7 m-85 -140.35 146.23 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.3 ttp85 -102.07 142.11 33.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.62 109.11 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -61.7 -58.58 7.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -124.18 160.5 52.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 127.9 11.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.417 1.746 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.568 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -136.82 141.18 42.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.426 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 2.9 mt-10 -101.66 145.06 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.51 159.84 14.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.458 ' CE ' HD13 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -99.44 138.25 36.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 p -106.94 132.89 52.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -155.93 176.05 13.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -137.33 153.22 50.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.6 p -51.09 135.02 26.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.21 50.72 3.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 77.2 m-20 -148.66 117.53 6.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.7 mm -73.5 123.76 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.458 HD13 ' CE ' ' A' ' 22' ' ' MET . 17.5 mt -108.71 150.18 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -104.27 98.16 8.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' A' ' 8' ' ' TYR . 55.1 t -84.21 139.88 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.56 92.92 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.42 -32.6 50.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -51.13 71.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.666 HG21 ' CD2' ' A' ' 44' ' ' TYR . 32.4 m -50.81 145.59 6.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.379 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.653 HG23 ' HH2' ' A' ' 53' ' ' TRP . 35.3 m -57.49 166.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.86 132.33 1.59 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.1 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 168.76 0.45 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.08 8.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.769 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.17 16.97 5.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -131.88 154.79 48.84 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.511 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 30.2 mt -138.96 125.36 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.666 ' CD2' HG21 ' A' ' 36' ' ' THR . 50.5 t80 -103.99 144.38 31.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.36 171.1 32.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -129.34 118.35 22.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' GLN . 22.5 t80 -118.0 172.2 7.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' PHE . 2.3 mt-30 -35.16 110.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.67 37.05 0.13 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.443 1.089 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -143.16 112.82 6.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -135.31 113.35 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.441 ' CA ' ' HB2' ' A' ' 22' ' ' MET . . . -157.97 -170.6 22.91 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.653 ' HH2' HG23 ' A' ' 37' ' ' VAL . 36.3 m95 -107.04 149.41 27.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 48.7 p90 -145.67 159.95 45.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.2 23.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 29.2 p -75.67 69.41 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -151.7 -46.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.347 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.482 ' O ' HG13 ' A' ' 59' ' ' VAL . 78.8 m-85 -85.24 45.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 58' ' ' TYR . 30.0 m -155.4 165.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.07 117.77 7.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -52.2 121.31 6.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.6 mmm . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 tt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -139.47 154.45 71.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 163.1 35.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.45 11.23 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.2 p -127.0 176.86 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.443 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.85 176.33 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.246 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 m -134.57 169.59 17.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.62 HD23 ' C ' ' A' ' 84' ' ' LEU . 0.8 OUTLIER -123.13 154.37 38.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.418 ' N ' HD23 ' A' ' 84' ' ' LEU . 92.2 p -178.15 151.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.038 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -175.94 157.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.0 t -172.98 153.61 2.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.07 168.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.29 126.81 2.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.553 1.158 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.45 5.01 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.91 135.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.17 170.45 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -172.31 160.24 4.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.008 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p 45.99 91.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.19 94.51 1.25 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m 56.76 163.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.981 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.491 ' HG ' ' HD1' ' A' ' 8' ' ' TYR . 89.4 p -118.59 -61.0 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.8 108.01 2.13 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.491 ' HD1' ' HG ' ' A' ' 6' ' ' SER . 41.8 m-85 -135.71 155.71 49.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -121.17 116.51 25.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.5 116.26 4.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.878 HD12 ' O ' ' A' ' 58' ' ' TYR . 3.4 mt -65.27 -61.22 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -115.55 156.61 45.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 18.3 Cg_endo -75.01 113.66 3.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.474 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 9.9 t80 -110.7 144.76 39.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 4.8 tt0 -110.08 139.22 45.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.78 89.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -102.15 45.69 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -147.53 -161.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -78.59 -75.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.575 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.7 56.7 0.67 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -97.6 163.8 12.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.69 162.32 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 p -136.13 122.95 21.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.047 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -157.5 162.83 38.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 71.3 m-80 -111.3 170.57 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.9 p -70.51 147.29 49.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.952 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.9 21.37 61.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -122.2 122.05 38.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.9 mm -61.62 139.33 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 mm -118.87 105.1 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -68.48 74.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 99.5 t -71.0 132.52 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -91.32 101.44 14.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.98 54.24 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.339 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.481 ' O ' HG23 ' A' ' 37' ' ' VAL . 23.5 mtmt -148.43 -48.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.9 m -56.84 129.31 40.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 35' ' ' LYS . 59.0 t -119.31 149.15 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.64 -100.64 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 5.7 mm-40 -63.11 164.77 12.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.91 59.97 4.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.407 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 83.1 m95 -141.29 151.97 44.1 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 17.4 mt -127.9 130.4 48.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.508 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 38.2 t80 -107.7 134.32 50.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.04 -177.72 19.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -138.0 116.16 11.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.458 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 31.6 t80 -121.36 172.25 8.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 3.7 mt-30 -35.13 110.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.01 34.79 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 69.6 m-20 -139.02 110.73 7.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -136.26 116.89 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.96 -170.87 28.46 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.565 1.165 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.508 ' CE3' ' HB2' ' A' ' 44' ' ' TYR . 67.4 m95 -107.82 124.99 50.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 43' ' ' LEU . 42.8 p90 -119.21 160.79 39.91 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.467 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -74.98 134.29 17.67 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.415 ' HA ' HD12 ' A' ' 43' ' ' LEU . 26.7 p -70.45 94.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 108.291 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 t30 173.69 -60.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.235 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.878 ' O ' HD12 ' A' ' 11' ' ' LEU . 15.1 m-85 -44.72 -39.35 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.6 m -89.09 153.01 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.732 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -131.97 116.05 16.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.347 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -48.69 126.86 12.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -98.58 161.41 25.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 157.1 42.99 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.85 59.63 2.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.15 64.3 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.041 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 41.6 73.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 m120 60.64 153.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.63 152.58 48.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -89.83 106.2 18.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.89 110.24 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.4 p -106.2 141.23 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.6 m -114.1 93.05 28.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 94.25 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -50.78 159.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -84.72 142.18 30.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -122.66 149.13 44.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 pp -95.45 148.03 22.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 78' ' ' LEU . 2.2 pt? -112.71 156.14 42.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 162.44 37.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -178.18 3.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.0 t -123.97 161.56 25.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.62 137.33 55.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.53 166.71 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 85' ' ' SER . 2.4 tt -137.52 156.59 47.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.42 ' N ' HD23 ' A' ' 84' ' ' LEU . 53.2 p -63.88 169.68 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -147.75 -177.57 5.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.664 HG23 ' N ' ' A' ' 88' ' ' SER . 0.6 OUTLIER 45.67 -171.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 110.389 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.664 ' N ' HG23 ' A' ' 87' ' ' THR . 34.2 p -177.68 175.5 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.31 100.39 1.35 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.05 4.62 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.0 p -135.34 174.38 10.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.038 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 t -150.29 75.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.029 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 p -130.05 170.91 13.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -124.92 -57.55 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.55 -169.98 11.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.55 7.72 8.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 0.768 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.18 -66.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.11 133.59 6.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.489 ' CD1' HG21 ' A' ' 32' ' ' VAL . 28.1 m-85 -138.06 145.26 41.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.749 . . . . 0.0 110.962 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -101.9 126.81 48.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.97 128.1 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 60' ' ' GLU . 18.5 mt -79.04 -52.32 8.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -121.42 160.18 47.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 103.88 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . 64.0 t80 -105.43 136.28 45.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -104.58 151.16 23.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.436 ' HB2' ' C ' ' A' ' 22' ' ' MET . . . -102.76 103.01 13.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -146.33 35.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.522 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.2 t-20 -121.44 -65.07 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 18' ' ' ASN . 2.0 m170 178.13 126.58 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 40.93 50.64 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 40.1 mt-10 -112.15 153.0 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.436 ' C ' ' HB2' ' A' ' 16' ' ' ALA . 2.6 ttm -98.22 155.73 17.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.94 114.86 21.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 14' ' ' PHE . 21.6 p90 -138.58 169.15 18.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -122.89 144.47 49.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.7 p -48.89 137.32 12.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.02 42.1 6.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.56 ' HB3' ' CE1' ' A' ' 47' ' ' PHE . 73.1 m-20 -139.89 123.97 17.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.424 HD12 ' SD ' ' A' ' 62' ' ' MET . 28.6 mm -71.23 124.92 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.7 mt -112.08 125.95 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -82.1 93.38 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 8' ' ' TYR . 54.1 t -78.96 139.72 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.43 75.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -41.73 -40.45 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -49.09 -58.26 5.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.45 HG21 ' CD2' ' A' ' 44' ' ' TYR . 51.8 m -50.85 124.23 10.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 p -116.13 160.42 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.95 -103.56 0.19 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.21 163.4 3.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -82.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.464 ' C ' ' CD1' ' A' ' 42' ' ' TRP . . . -92.02 62.17 2.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.464 ' CD1' ' C ' ' A' ' 41' ' ' GLY . 31.5 m95 -147.26 137.42 23.23 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 15.0 mt -115.91 121.86 43.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.45 ' CD2' HG21 ' A' ' 36' ' ' THR . 18.3 t80 -87.71 127.43 35.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.44 167.76 24.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.0 p -123.14 115.68 22.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 28' ' ' ASP . 33.6 t80 -113.49 172.25 7.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.465 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.14 109.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.34 34.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' GLN . 23.3 m120 -139.84 118.13 12.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.7 OUTLIER -135.52 117.4 15.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.958 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.48 -169.96 26.61 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 56.8 m95 -107.69 149.75 27.76 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 26.5 p90 -149.07 160.54 34.78 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.78 38.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.4 p -90.82 44.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.325 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -137.27 14.33 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -135.76 9.09 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.1 m -127.49 158.74 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.413 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -128.77 121.79 29.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.477 ' HG3' ' CE2' ' A' ' 8' ' ' TYR . 11.1 tttt -60.39 97.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.424 ' SD ' HD12 ' A' ' 29' ' ' ILE . 24.3 ptm -65.18 158.26 72.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.6 m -133.2 -45.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.2 p -127.69 95.75 4.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.063 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.12 -44.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -95.81 127.16 41.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -160.79 148.38 15.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -81.55 142.03 33.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -179.04 103.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.0 p -71.62 159.24 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 71.8 p -108.54 150.11 40.25 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 80.08 2.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.766 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.11 108.39 10.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -137.39 174.9 10.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.96 151.89 49.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.64 130.15 21.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.16 149.07 39.59 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 173.27 14.8 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.9 t -115.52 124.81 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 p -94.59 146.89 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.1 p -115.75 169.15 9.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.22 162.55 13.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.2 m -141.92 164.62 29.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.7 172.79 7.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -156.36 152.75 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 p -129.19 174.96 9.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -151.48 105.2 0.28 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -179.41 4.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.1 p -151.12 174.24 13.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.49 169.21 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -108.95 -57.76 2.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 109.944 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 p -148.25 105.31 3.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.997 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.45 58.49 0.16 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 p -110.69 -172.02 1.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 0.802 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.68 -59.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.13 124.67 3.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.67 ' CD1' HG21 ' A' ' 32' ' ' VAL . 8.5 m-85 -123.43 144.57 49.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.626 ' NE ' HD11 ' A' ' 29' ' ' ILE . 8.1 ttm180 -107.79 125.43 51.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.62 118.82 8.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.6 mt -72.09 -42.81 65.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -128.79 157.54 75.12 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 101.03 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.521 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 1.6 t80 -107.8 149.47 28.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.427 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 3.5 tt0 -130.09 126.48 37.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.45 109.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -35.61 66.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -175.71 173.93 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.4 ' CG ' ' H ' ' A' ' 20' ' ' ASP . 4.1 t-160 71.63 -158.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.602 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' H ' ' CG ' ' A' ' 19' ' ' HIS . 6.7 t0 -91.66 48.96 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -86.1 153.56 22.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.0 ttp -105.29 147.36 28.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.6 p -112.87 142.11 45.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 14' ' ' PHE . 6.5 p90 -164.23 170.12 16.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -119.22 158.24 26.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.0 p -60.78 140.14 57.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.947 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 9.22 60.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.112 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.601 ' CG ' ' CE1' ' A' ' 47' ' ' PHE . 1.1 t0 -97.21 135.38 39.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.626 HD11 ' NE ' ' A' ' 9' ' ' ARG . 36.6 mm -98.74 93.97 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.4 mt -78.75 143.68 12.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 29' ' ' ILE . 8.0 mp0 -99.63 89.36 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.67 HG21 ' CD1' ' A' ' 8' ' ' TYR . 73.9 t -74.34 120.59 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -93.91 76.28 4.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -41.37 -29.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -54.91 -53.64 52.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.2 m -50.97 130.32 25.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.439 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 p -90.3 156.66 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.84 -167.17 40.3 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -48.04 157.63 0.62 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -52.03 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -86.2 45.82 3.52 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 60.2 m95 -155.0 134.77 12.81 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.59 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 25.8 mt -123.76 120.79 33.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.546 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 18.5 t80 -83.89 133.89 34.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.08 161.42 27.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.0 p -120.57 116.61 25.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.739 . . . . 0.0 110.041 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CE1' ' CG ' ' A' ' 28' ' ' ASP . 46.6 t80 -128.32 172.12 11.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.507 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 3.6 mt-30 -35.17 110.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.8 33.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' GLN . 15.2 m-80 -133.36 112.7 11.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -139.27 107.6 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.74 -169.8 27.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.546 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 67.7 m95 -109.99 133.05 53.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.985 -1.116 . . . . 0.0 107.985 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 35.1 p90 -123.79 160.77 49.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 57' ' ' ASN . 18.4 Cg_endo -74.98 133.24 16.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.499 1.789 . . . . 0.0 111.059 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 28.0 p -69.56 68.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 55' ' ' PRO . 8.6 m-20 -150.55 -48.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.512 ' O ' HG13 ' A' ' 59' ' ' VAL . 84.9 m-85 -85.5 46.41 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 58' ' ' TYR . 18.9 m -155.7 164.63 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.86 95.66 2.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 8' ' ' TYR . 12.0 tttm -47.11 107.78 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.7 mtp -83.98 160.55 57.69 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -166.41 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.58 81.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -156.29 87.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 60.26 86.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -151.15 154.86 37.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -174.78 139.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -56.07 117.83 4.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -150.95 62.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.5 p -103.14 158.81 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 m -110.89 101.5 49.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.71 15.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.49 101.97 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.45 157.78 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -103.39 156.59 17.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.43 160.69 15.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.8 mp -135.97 157.05 76.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.94 43.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.32 20.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t -166.27 119.94 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.501 HG22 ' H ' ' A' ' 83' ' ' SER . 11.7 p -173.33 170.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.501 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -177.22 127.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.952 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.0 tp -159.09 119.87 3.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.92 148.45 49.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.25 170.11 15.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.2 t -171.12 146.74 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.391 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.9 p -162.64 156.44 20.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.85 96.44 0.1 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 179.23 6.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.8 m -143.69 171.89 13.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.72 170.88 21.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -134.86 93.99 3.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.99 167.88 12.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.32 -78.2 0.12 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 p -159.42 161.28 35.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 110.025 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -152.04 167.08 29.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.83 152.14 18.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.608 ' CD1' HG21 ' A' ' 32' ' ' VAL . 30.4 m-85 -139.74 145.67 38.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -104.73 128.64 52.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.96 129.41 38.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.605 HD11 ' HB3' ' A' ' 60' ' ' GLU . 49.1 mt -81.79 -50.62 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -121.04 158.91 51.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 121.37 6.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CE2' ' O ' ' A' ' 15' ' ' GLU . 83.1 t80 -113.64 148.36 36.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.559 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -104.52 157.82 16.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.28 117.8 32.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -68.82 -32.27 71.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -148.51 167.82 24.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -49.32 -41.26 38.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.61 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.08 -30.54 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.03 147.75 23.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.464 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 13.0 ttp -101.98 143.51 31.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.3 p -114.18 124.81 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 14' ' ' PHE . 19.1 p90 -143.75 168.66 19.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -126.45 137.1 53.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.3 p -40.23 129.97 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.11 46.85 2.99 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 53.3 m-20 -145.44 126.64 14.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.403 HD12 ' SD ' ' A' ' 62' ' ' MET . 50.2 mm -75.04 127.49 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.2 mt -115.48 129.83 71.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.43 93.36 9.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.608 HG21 ' CD1' ' A' ' 8' ' ' TYR . 38.8 t -75.0 110.34 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -77.08 83.28 3.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.15 -43.42 20.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -49.21 -56.77 8.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.5 m -61.7 125.86 25.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.2 t -136.01 155.21 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.87 -100.08 0.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.521 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 1.3 mm-40 -60.43 163.92 7.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -81.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.533 1.807 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.8 55.47 4.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.521 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 83.0 m95 -145.77 146.08 31.07 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.568 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 23.3 mt -128.23 132.34 48.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.497 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 8.0 t80 -100.58 141.48 33.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -155.88 155.82 26.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 m -114.33 115.09 26.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 0.793 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 28' ' ' ASP . 27.0 t80 -114.17 172.22 7.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' PHE . 2.3 mt-30 -34.99 110.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.33 36.73 0.1 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -140.02 120.14 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -136.17 110.24 8.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 22' ' ' MET . . . -155.48 -172.27 22.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.497 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 62.1 m95 -111.08 131.37 55.13 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 43' ' ' LEU . 53.9 p90 -121.03 161.76 38.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.01 143.79 29.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 27.8 p -86.17 57.26 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.324 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -167.02 31.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 1.6 m-85 -135.09 -42.07 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -77.52 171.14 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.605 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -134.63 100.19 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -40.52 101.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.403 ' SD ' HD12 ' A' ' 29' ' ' ILE . 27.2 ptm -65.82 158.61 74.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 145.01 30.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.441 1.759 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.2 m -107.71 105.78 15.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.85 78.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -137.21 118.84 14.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -124.37 136.11 53.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -103.46 98.6 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -157.33 125.83 5.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.53 86.05 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.3 t -136.01 136.97 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 96.0 p -115.81 153.95 48.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 129.61 12.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt 60.11 111.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -75.57 108.97 8.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.73 126.72 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 pp -78.74 145.02 34.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.9 mp -100.33 149.82 36.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 169.33 22.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 162.14 37.73 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.431 1.753 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.4 t -142.14 151.21 42.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.402 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.7 m -142.03 175.16 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 81.3 p -163.33 168.5 20.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.939 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.39 172.74 16.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.16 166.35 31.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.47 142.43 23.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.8 p -105.45 178.94 4.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.5 p -162.15 146.6 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.041 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -119.1 150.53 17.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -174.3 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.64 164.62 29.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.4 p -115.18 167.71 10.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m 61.26 121.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 0.817 . . . . 0.0 110.059 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 t -163.67 -61.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.1 -88.04 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 p 58.11 169.4 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 0.74 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.85 -51.42 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.42 139.92 1.59 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.592 ' CD1' HG21 ' A' ' 32' ' ' VAL . 35.5 m-85 -143.2 144.39 32.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -102.35 128.71 48.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.408 ' CB ' ' CD1' ' A' ' 24' ' ' PHE . . . -61.92 116.08 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 60' ' ' GLU . 26.2 mt -67.04 -50.83 60.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -126.03 160.94 54.44 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 113.57 3.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.032 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 6.8 t80 -124.95 131.37 53.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -99.41 140.22 33.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.45 114.63 0.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.82 -46.12 14.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -88.81 -165.64 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -92.34 -33.25 14.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.585 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.84 37.91 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.85 177.43 4.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.37 160.68 20.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m -131.7 123.0 26.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.408 ' CD1' ' CB ' ' A' ' 10' ' ' ALA . 16.0 p90 -151.91 164.46 37.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -114.33 146.51 40.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.1 p -45.23 138.24 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.73 -30.69 9.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.79 127.33 31.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 29' ' ' ILE . 43.4 mm -82.81 121.42 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.1 mt -106.23 142.98 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -103.97 93.09 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.592 HG21 ' CD1' ' A' ' 8' ' ' TYR . 73.9 t -73.51 152.09 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -119.7 76.9 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.11 -36.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -63.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.6 m -53.02 125.82 18.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.43 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 p -128.15 160.94 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.52 -100.76 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.531 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 0.5 OUTLIER -58.35 164.7 3.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.463 0.743 . . . . 0.0 110.29 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -87.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.768 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.38 57.15 5.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.531 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 81.1 m95 -144.72 137.33 26.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 42.2 mt -121.91 125.81 47.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -89.1 134.04 34.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.79 160.33 28.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 p -113.42 138.09 50.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.945 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' GLN . 24.3 t80 -145.49 172.23 13.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' ASN . 3.7 mt-30 -35.19 107.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 34.59 35.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' GLN . 21.6 m120 -138.03 111.48 8.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -134.48 111.27 9.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.17 -170.0 25.21 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -110.72 143.53 41.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 35.1 p90 -134.94 161.27 64.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 57' ' ' ASN . 18.3 Cg_endo -75.02 128.08 11.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.3 p -65.34 81.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 108.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 55' ' ' PRO . 46.3 t30 -165.77 -43.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.639 ' O ' HG13 ' A' ' 59' ' ' VAL . 93.0 m-85 -87.33 45.53 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 58' ' ' TYR . 15.3 m -158.42 158.62 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.429 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -135.38 130.65 35.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -66.21 99.12 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.4 ptm -68.71 158.05 86.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.58 29.19 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.556 1.819 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 t -132.84 88.34 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.981 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.0 t 65.16 142.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.955 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.51 79.03 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -75.8 144.67 41.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 61.7 120.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.41 141.43 19.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.62 122.57 43.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 74.2 t -71.18 136.84 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.8 109.47 1.73 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.74 10.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.51 133.15 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.02 168.01 16.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.68 148.22 27.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -174.72 126.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 41.4 mt -110.03 100.56 44.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 154.82 43.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.42 12.81 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.54 1.811 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.4 t -144.46 152.77 41.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.352 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 83' ' ' SER . 8.0 p -165.94 166.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.403 ' N ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -170.84 150.97 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.442 HD13 ' H ' ' A' ' 85' ' ' SER . 0.1 OUTLIER -163.77 138.41 5.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.442 ' H ' HD13 ' A' ' 84' ' ' LEU . 85.9 p -151.94 164.64 36.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -167.6 147.67 5.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 39.9 m -152.51 133.74 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.59 148.49 27.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.84 99.24 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.14 7.65 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.7 173.15 11.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.9 t -134.84 -57.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.4 p -70.91 134.34 47.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t -98.04 140.62 32.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.993 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.62 142.56 38.82 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 p -172.68 172.1 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -134.61 160.79 37.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.44 141.57 13.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.492 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 18.7 m-85 -133.98 144.77 48.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.04 122.51 41.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.62 116.69 5.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 60' ' ' GLU . 7.3 mt -62.32 -62.37 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -115.0 159.48 37.49 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.87 6.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.477 1.778 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.516 ' CD1' ' N ' ' A' ' 15' ' ' GLU . 24.0 t80 -124.1 156.98 35.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.516 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -133.43 143.06 48.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.48 94.72 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -48.08 -54.89 11.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER 163.55 88.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.297 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 19' ' ' HIS . 11.2 t60 173.26 64.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.586 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' HIS . 1.0 OUTLIER 40.56 29.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 19' ' ' HIS . 1.0 OUTLIER -85.83 167.75 14.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.1 ttm -102.8 161.1 14.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.8 p -130.49 123.9 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -153.63 168.72 25.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -124.63 145.85 49.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.3 p -48.15 141.45 6.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.47 40.58 8.31 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -140.24 129.67 24.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.467 HD12 ' SD ' ' A' ' 62' ' ' MET . 29.8 mm -74.77 123.53 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.5 mt -111.14 121.69 64.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -79.69 92.61 5.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 110.247 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.492 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 26.6 t -78.39 148.01 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -112.99 105.05 13.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -81.12 -18.81 45.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.86 18.16 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.547 HG21 ' CD2' ' A' ' 44' ' ' TYR . 20.0 m -114.75 131.85 56.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 38' ' ' GLY . 3.7 p -108.28 160.63 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.422 ' N ' HG22 ' A' ' 37' ' ' VAL . . . 167.61 -100.78 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 6.8 mm-40 -80.49 164.61 50.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -85.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.92 58.02 4.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.424 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 81.5 m95 -140.13 149.3 42.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.554 ' O ' ' CE1' ' A' ' 54' ' ' PHE . 88.3 mt -123.6 127.82 48.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 12.1 t80 -99.25 139.89 34.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.5 166.39 31.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 m -121.26 115.23 22.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.022 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' OE1' ' A' ' 48' ' ' GLN . 30.1 t80 -119.01 167.27 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.596 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.0 mp0 -35.4 112.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.32 34.22 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 74.1 m-20 -141.67 110.67 6.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.789 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -135.17 115.39 13.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.73 -170.6 28.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 52.6 m95 -107.14 128.98 54.88 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.554 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 40.1 p90 -119.22 160.23 42.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.81 12.65 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.529 1.805 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 22.1 p -67.06 88.47 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.266 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -174.86 -41.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.585 ' O ' HG13 ' A' ' 59' ' ' VAL . 95.5 m-85 -87.87 41.52 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 58' ' ' TYR . 12.6 m -156.84 131.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.537 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -114.7 110.98 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -50.16 100.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.467 ' SD ' HD12 ' A' ' 29' ' ' ILE . 24.5 ptm -64.05 158.87 60.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 65' ' ' SER . 18.2 Cg_endo -75.0 -164.13 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' SER . 25.6 t 63.68 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 63' ' ' PRO . 91.0 p -39.5 115.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -165.64 177.68 7.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -126.67 126.67 43.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 65.9 151.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.62 142.61 8.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -97.03 108.37 21.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.49 HG13 ' HD3' ' A' ' 73' ' ' PRO . 7.7 p -74.63 161.06 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.7 m -131.03 81.43 66.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.49 ' HD3' HG13 ' A' ' 71' ' ' VAL . 18.1 Cg_endo -75.08 -167.11 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 110.997 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt 62.62 157.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -169.14 171.67 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -98.04 168.77 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.94 125.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.83 142.4 37.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 18.3 Cg_endo -75.02 154.68 42.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -75.01 177.14 9.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 p -132.6 157.49 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 p -119.94 150.05 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.75 156.05 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.05 176.4 12.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -177.45 173.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.22 162.64 18.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 55.1 m -157.52 124.47 5.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.05 172.88 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -160.21 156.96 28.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.12 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.05 2.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 84.1 p -140.08 170.73 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.0 p -106.66 167.28 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 p -74.29 155.89 37.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 0.736 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.28 74.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.47 96.93 0.19 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 111.057 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.4 178.46 7.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.8 -55.22 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.69 126.87 1.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.772 ' CD1' HG21 ' A' ' 32' ' ' VAL . 16.8 m-85 -134.27 145.52 49.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -95.75 148.87 22.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.536 ' HB1' ' CD1' ' A' ' 24' ' ' PHE . . . -88.61 119.19 28.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 60' ' ' GLU . 37.9 mt -70.55 -54.91 10.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -119.95 157.49 52.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 111.44 3.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . 7.9 t80 -121.25 122.62 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.3 146.49 24.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.465 ' HB2' ' C ' ' A' ' 22' ' ' MET . . . -53.93 114.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -90.9 39.63 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 t30 66.1 172.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 78.2 57.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 46.86 48.33 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -100.05 171.15 8.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.465 ' C ' ' HB2' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -121.32 176.2 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.952 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.1 m -131.3 131.59 43.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.536 ' CD1' ' HB1' ' A' ' 10' ' ' ALA . 28.0 p90 -155.55 145.83 21.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -104.09 158.2 16.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.6 p -60.34 128.71 38.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.68 38.55 4.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -134.34 125.73 28.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 29' ' ' ILE . 35.3 mm -72.87 119.62 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.413 HD11 ' CG ' ' A' ' 24' ' ' PHE . 8.1 mt -104.47 127.97 58.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -83.25 87.41 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.772 HG21 ' CD1' ' A' ' 8' ' ' TYR . 53.3 t -68.86 157.68 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.13 92.84 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -15.1 27.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -79.17 -66.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.0 m -70.66 126.5 29.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.5 p -144.33 151.52 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.23 -98.82 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.43 1.081 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.5 160.04 83.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -14.22 21.21 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.787 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -125.47 46.3 1.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.505 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 66.0 m95 -153.01 159.55 42.91 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 78.0 mt -142.92 136.11 28.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 5.6 t80 -105.3 139.7 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.84 -176.3 26.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.2 m -136.53 115.55 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 48' ' ' GLN . 24.4 t80 -115.72 172.24 7.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ASN . 3.6 mt-30 -35.13 109.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 34.93 34.82 0.05 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' GLN . 24.6 m120 -140.55 114.38 8.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -134.01 114.6 13.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.84 -173.44 30.5 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.404 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 53.2 m95 -105.15 132.68 51.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 35.4 p90 -123.35 161.04 47.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.505 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.03 132.15 15.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.5 p -71.74 94.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 108.285 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 170.29 -47.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.505 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.0 m-85 -60.08 -19.87 55.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -101.91 165.98 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.551 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -139.5 115.15 10.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -53.79 109.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.2 ptp -58.48 159.23 12.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 147.45 34.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.4 89.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.92 111.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.34 -30.74 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 175.77 165.46 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.41 131.26 34.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 67.14 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -96.91 117.41 31.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.2 p -77.7 131.48 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -145.5 93.83 5.27 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 135.39 18.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.456 1.766 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -140.29 164.92 28.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.94 149.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -175.54 170.0 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 tp 66.05 156.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.5 142.7 45.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.56 42.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 174.62 12.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.7 p -109.87 168.02 9.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.3 m -112.8 154.88 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.72 169.55 16.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.67 166.63 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.9 p -117.28 167.43 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.67 175.68 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.6 t -143.9 150.23 38.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 p -111.94 172.19 7.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -122.3 154.83 16.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -177.55 3.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.43 170.45 22.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.6 p -119.91 161.92 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.55 109.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t 45.34 75.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.43 100.96 0.14 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -100.01 176.85 5.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.017 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -125.21 -58.98 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.02 119.27 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.475 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 12.4 m-85 -126.29 143.68 51.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -101.83 138.14 39.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' HB1' ' CD1' ' A' ' 24' ' ' PHE . . . -76.25 120.78 22.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 60' ' ' GLU . 25.7 mt -70.2 -55.07 10.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -122.95 160.16 50.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.62 4.07 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.508 1.793 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 15' ' ' GLU . 81.5 t80 -115.13 148.02 39.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.59 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -107.23 156.94 18.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.62 163.48 12.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -96.28 9.5 40.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 59.72 83.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 179.05 -76.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.62 22.87 3.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -117.6 157.11 26.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.3 ttp -114.86 151.73 33.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.44 131.88 56.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.401 ' CD1' ' HB1' ' A' ' 10' ' ' ALA . 13.6 p90 -151.16 173.15 14.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -126.09 147.77 49.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 109.343 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.6 p -52.71 132.36 36.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.18 41.72 4.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -140.04 127.15 20.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.764 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.6 mm -75.85 119.65 24.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -107.44 134.01 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -90.9 94.15 9.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.475 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 37.7 t -78.69 152.35 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -123.64 92.51 3.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.59 55.76 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -149.02 -47.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.3 m -56.07 123.96 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.33 148.14 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' HA3' ' CH2' ' A' ' 53' ' ' TRP . . . 167.25 178.51 39.58 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -40.71 160.15 0.14 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.539 1.81 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.51 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -81.53 50.5 4.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.51 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 72.8 m95 -154.32 122.75 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 16.9 mt -110.86 118.54 36.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.566 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 42.3 t80 -82.12 115.35 21.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.81 157.09 19.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -115.85 115.33 26.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 26.9 t80 -117.69 172.28 7.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' ASN . 2.6 mt-30 -35.73 112.51 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.68 33.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.6 m-80 -137.36 117.55 13.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -135.72 112.4 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.76 -169.87 27.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 44' ' ' TYR . 39.4 m95 -113.33 137.92 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 43' ' ' LEU . 28.3 p90 -127.99 160.47 61.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.72 14.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.38 94.5 2.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.314 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.6 t30 177.45 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -83.54 3.99 30.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.18 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.0 m -117.44 158.68 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -136.41 101.12 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -47.65 122.67 5.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.2 mtm -93.35 160.57 32.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 138.01 22.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.0 119.23 12.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.64 122.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 61.85 132.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -152.99 123.52 7.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 60.84 99.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -68.68 119.4 13.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -158.53 89.22 0.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.49 157.71 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.407 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -113.04 136.27 21.73 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.99 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -74.94 -177.14 3.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -85.87 175.31 8.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.9 165.4 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.67 178.22 4.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.62 166.43 20.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 pp -134.37 154.31 79.79 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 18.3 Cg_endo -75.01 149.11 36.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -75.06 176.35 10.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 p -125.39 178.12 5.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.42 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.8 p -160.91 129.49 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.541 ' O ' HD22 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -138.32 145.64 41.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 83' ' ' SER . 1.0 OUTLIER -132.5 -166.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.86 178.27 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -156.44 168.49 27.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 77.8 p -139.34 -174.46 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.88 170.61 17.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -138.4 111.14 0.78 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -178.97 4.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 t -134.41 174.39 10.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.0 p -128.42 172.0 11.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 p -161.57 89.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.999 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -159.74 90.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.0 -136.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -131.33 7.31 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -159.29 145.63 16.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.097 . . . . 0.0 110.046 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.07 127.76 7.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.557 ' CD1' HG21 ' A' ' 32' ' ' VAL . 37.7 m-85 -117.61 147.51 42.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.83 132.68 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.56 120.95 20.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.453 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 48.6 mt -69.67 -51.34 35.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -126.25 162.23 47.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 128.4 11.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 46.9 t80 -126.19 154.9 42.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.521 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 2.8 mp0 -125.7 150.78 47.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.21 106.71 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -75.26 -37.9 60.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.255 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.15 -170.28 1.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -101.57 39.36 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.588 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.52 33.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -117.19 168.86 9.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.0 ttp -108.69 145.58 34.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.92 113.3 21.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -130.8 168.56 17.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -122.22 147.09 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.7 p -50.37 136.35 20.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.27 46.81 5.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -142.3 128.89 20.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.733 HG22 ' OE1' ' A' ' 31' ' ' GLN . 33.6 mm -74.61 122.76 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.3 mt -110.6 115.74 50.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.733 ' OE1' HG22 ' A' ' 29' ' ' ILE . 1.5 mp0 -74.72 87.5 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 8' ' ' TYR . 24.6 t -66.17 137.66 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.372 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -101.62 98.9 9.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.69 49.22 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -138.61 -51.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.3 m -56.51 128.89 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.45 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.8 p -83.87 156.09 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.363 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.97 -168.85 41.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -44.32 151.56 0.56 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.244 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -39.24 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -95.05 50.1 1.94 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 68.7 m95 -156.02 153.51 29.58 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.587 ' O ' ' CE1' ' A' ' 54' ' ' PHE . 17.8 mt -134.55 127.01 30.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 21.5 t80 -101.67 128.19 48.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.63 160.13 27.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -112.15 116.18 30.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.028 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' GLN . 26.5 t80 -113.6 172.21 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ASN . 2.2 mt-30 -34.96 108.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 34.88 34.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' GLN . 24.1 m120 -139.39 121.12 15.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -136.01 117.04 14.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -158.76 -171.97 25.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 66.2 m95 -111.84 124.67 52.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 48.4 p90 -115.13 161.92 26.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.5 Cg_endo -74.99 135.17 18.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.783 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.426 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 27.1 p -78.71 91.82 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 108.309 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.426 ' OD1' ' C ' ' A' ' 56' ' ' CYS . 5.1 p-10 164.32 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 2.8 m-85 -77.0 -16.66 59.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.9 m -98.18 165.65 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.453 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -137.06 110.75 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -53.56 101.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.5 ptm -57.64 158.24 12.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.71 3.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.541 1.811 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.4 t -132.28 -49.49 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.72 126.26 30.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -139.33 -45.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 t30 174.29 149.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -88.03 103.54 15.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.7 tptm 64.01 127.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.72 147.32 28.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.01 133.95 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -123.49 89.84 50.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.03 -168.55 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.45 1.763 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 39.8 41.11 0.77 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -103.33 88.96 3.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -41.93 160.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 40.78 73.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.02 145.65 98.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.28 16.69 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 127.37 10.62 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.4 t -129.38 142.18 50.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.442 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 p -171.82 150.97 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.32 128.15 47.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.643 HD23 ' H ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -84.38 155.85 22.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.2 141.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -163.15 168.8 20.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.1 t -155.59 159.22 39.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.0 p -116.42 167.52 10.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -150.59 97.96 0.18 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.13 10.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.81 173.9 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t -172.75 167.89 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -141.58 -58.37 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m 54.18 94.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.956 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.58 -99.51 2.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.54 1.15 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m 60.22 166.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 109.969 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.04 -53.43 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.05 113.62 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -121.35 149.26 43.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.29 120.69 34.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.09 124.74 17.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' A' ' 60' ' ' GLU . 27.5 mt -81.88 -43.12 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -134.5 155.74 79.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 105.76 2.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.789 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -105.91 149.98 26.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -125.6 146.93 49.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.8 124.76 28.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -107.55 -8.61 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -114.45 173.67 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 38.91 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.59 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -173.92 44.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -135.4 161.59 35.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -103.44 160.67 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.43 112.66 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -133.77 176.09 8.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.1 m-80 -126.53 148.64 49.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.73 156.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.012 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.17 39.72 92.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.491 1.12 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -141.9 121.23 13.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 0.807 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.7 mm -63.52 131.73 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' VAL . 5.0 mm -110.87 107.52 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -67.02 74.37 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' ILE . 93.7 t -75.2 136.99 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.36 110.59 22.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -87.98 46.4 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -137.93 -56.06 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.0 m -53.26 125.94 19.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.2 p -103.09 160.56 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.98 -100.8 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.56 1.163 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.537 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 1.5 mm-40 -71.1 163.95 61.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -85.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.82 59.3 4.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.537 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 85.1 m95 -143.05 138.23 29.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.592 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 81.9 mt -114.93 124.2 51.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 25.4 t80 -97.02 132.64 42.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.65 179.71 24.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.5 p -130.32 118.14 20.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.446 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 31.6 t80 -122.18 172.32 8.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.446 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 1.7 mt-30 -35.22 109.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.36 34.49 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.143 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' GLN . 20.4 m120 -138.1 112.95 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -134.67 110.47 9.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.49 -169.96 27.71 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.443 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 32.2 m95 -107.38 149.2 28.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 53.9 p90 -143.64 161.2 47.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.04 21.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.536 1.808 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.5 p -78.64 90.68 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.303 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 4.7 p-10 -172.44 -41.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.48 ' O ' HG13 ' A' ' 59' ' ' VAL . 95.9 m-85 -85.23 48.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 58' ' ' TYR . 17.9 m -154.86 160.47 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.436 ' HB3' HD21 ' A' ' 11' ' ' LEU . 2.8 pt-20 -135.75 104.75 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -47.95 103.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 ptp -53.08 159.19 2.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.01 5.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -134.33 -53.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -57.54 102.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.7 -51.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 50.76 97.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -144.42 96.23 2.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -127.85 58.35 1.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 64.58 131.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.8 m -83.53 109.85 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.85 95.33 7.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 65.07 6.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tptt 43.71 72.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 52.7 176.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.92 161.12 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 tt 62.53 136.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -138.91 154.78 73.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.83 17.56 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.455 1.766 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.25 35.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.7 m -108.3 140.97 40.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.5 m -54.53 179.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.8 p -120.53 170.89 8.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.98 128.12 20.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.3 p -115.61 170.19 8.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -148.75 177.86 9.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -166.77 166.88 15.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.5 p -153.35 174.27 14.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -156.53 152.45 23.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -172.73 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 110.958 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 88.4 p -149.98 161.49 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 t -131.08 169.04 16.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.28 152.36 22.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.8 m 59.62 157.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.79 -140.98 12.17 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.2 p -65.3 166.33 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 0.805 . . . . 0.0 110.012 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.33 -51.33 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.56 127.0 3.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.633 ' CD1' HG21 ' A' ' 32' ' ' VAL . 20.3 m-85 -134.83 144.61 47.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.28 134.01 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -75.38 123.32 25.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 60' ' ' GLU . 20.3 mt -74.78 -47.92 28.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -123.07 159.83 52.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 120.5 6.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -113.25 168.09 10.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -144.66 154.95 43.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.4 173.82 8.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.58 -36.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -56.36 -68.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -174.83 -73.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.582 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.21 51.4 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -99.65 149.32 23.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.482 ' CE ' ' O ' ' A' ' 45' ' ' GLY . 0.7 OUTLIER -101.47 139.43 37.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.4 p -114.27 133.78 55.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.436 ' CE1' ' HB1' ' A' ' 10' ' ' ALA . 5.0 p90 -149.33 170.53 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -118.71 147.97 43.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.7 p -53.62 130.18 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.33 43.98 3.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -140.09 128.18 22.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.775 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mm -77.51 119.18 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.0 mt -107.49 119.46 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -77.39 86.53 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.633 HG21 ' CD1' ' A' ' 8' ' ' TYR . 64.3 t -68.74 140.13 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.16 94.84 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.71 -29.64 70.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -54.43 43.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.8 m -55.45 127.59 30.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -88.37 157.79 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.489 ' HA3' ' CH2' ' A' ' 53' ' ' TRP . . . 174.44 -172.92 45.78 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -43.13 164.65 0.13 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -61.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.578 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -83.47 47.75 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 71.2 m95 -156.65 126.87 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.496 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 7.4 mt -119.5 133.36 55.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.528 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 17.0 t80 -89.58 132.09 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' CE ' ' A' ' 22' ' ' MET . . . -143.01 149.62 21.51 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.5 p -107.74 127.16 53.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 48' ' ' GLN . 23.0 t80 -129.66 172.12 11.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ASN . 1.8 mt-30 -35.36 111.47 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.41 34.29 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.2 m-80 -137.96 115.98 11.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 2.8 m-85 -135.54 111.43 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.94 -173.15 32.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.528 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 77.5 m95 -102.54 133.14 48.0 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.496 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 7.4 p90 -123.91 160.64 50.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -74.98 127.95 11.11 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.3 p -63.76 -23.63 67.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 108.346 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.434 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 5.7 p-10 -84.18 54.84 3.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.555 ' CD2' ' HG2' ' A' ' 55' ' ' PRO . 1.8 m-85 -163.47 -43.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.3 m -82.04 161.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.525 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -122.47 121.91 37.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 8' ' ' TYR . 13.6 tttt -62.4 98.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 17.4 ptm -61.72 158.04 44.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 104.03 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 t -147.99 113.59 5.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.97 146.41 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -129.88 150.11 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -174.22 -40.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 59.91 150.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -71.38 154.0 41.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.81 175.14 5.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.8 p -50.72 147.42 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.6 p -128.3 151.77 76.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 174.56 12.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.788 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 64.1 132.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.32 175.98 8.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -176.3 84.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.88 118.19 28.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.981 HD13 ' HD2' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -102.47 139.17 19.97 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.981 ' HD2' HD13 ' A' ' 78' ' ' LEU . 18.3 Cg_endo -74.97 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t -130.06 145.39 51.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.17 125.3 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.2 p -133.55 172.05 13.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.67 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -151.29 163.17 39.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.486 ' N ' HD22 ' A' ' 84' ' ' LEU . 60.8 p -141.55 -178.87 5.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -139.27 173.22 11.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.5 m -141.69 131.51 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.366 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.25 173.02 6.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -139.6 102.06 0.33 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.31 8.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.75 171.7 12.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.98 168.22 13.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 m 50.06 98.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.957 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -134.76 166.07 23.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.959 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.42 -100.3 2.65 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.03 155.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 0.774 . . . . 0.0 110.036 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -115.81 -63.76 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.95 106.04 3.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.519 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 19.4 m-85 -122.68 170.15 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -127.38 105.87 8.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 26' ' ' SER . . . -50.64 122.88 7.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.785 HD11 ' HB3' ' A' ' 60' ' ' GLU . 69.8 mt -80.88 -48.87 11.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -126.45 154.8 75.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 108.3 2.69 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.445 1.761 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CE2' ' O ' ' A' ' 15' ' ' GLU . 52.9 t80 -95.34 167.88 11.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.112 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.456 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -127.56 163.66 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 21' ' ' GLU . . . -127.57 99.05 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -136.69 42.67 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.84 -60.27 1.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.89 -69.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.586 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.01 54.04 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 2.7 mt-10 -117.07 153.16 33.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.44 162.84 14.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.1 p -122.77 126.27 47.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.994 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.555 ' HB2' HD11 ' A' ' 30' ' ' ILE . 15.1 p90 -142.08 145.1 33.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -100.19 140.42 34.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 82.4 p -40.61 151.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.033 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.68 -53.44 4.54 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -44.86 126.13 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.763 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.435 HD12 ' SD ' ' A' ' 62' ' ' MET . 44.9 mm -71.36 125.77 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.555 HD11 ' HB2' ' A' ' 24' ' ' PHE . 8.4 mm -100.35 106.74 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -70.64 73.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.519 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 70.1 t -72.33 139.67 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.14 90.69 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.1 -26.46 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -57.34 -56.93 15.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.9 m -62.89 125.81 25.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -135.24 156.07 38.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.31 -102.08 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -45.96 163.43 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -88.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.93 57.35 4.83 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -147.81 154.65 40.75 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 54' ' ' PHE . 17.4 mt -138.52 131.2 29.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -98.69 135.68 39.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.82 -176.89 19.21 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -134.23 114.99 13.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.055 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' OE1' ' A' ' 48' ' ' GLN . 30.8 t80 -119.06 167.71 11.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.596 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.0 mt-30 -35.05 111.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.2 34.43 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' GLN . 25.1 m120 -141.76 111.32 6.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -137.39 115.82 11.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.5 -171.57 29.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -98.5 123.88 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 55.1 p90 -121.13 160.79 43.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.01 137.29 21.5 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.459 ' HA ' HD12 ' A' ' 43' ' ' LEU . 23.3 p -68.34 -29.16 67.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 108.278 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -79.74 55.08 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 1.0 OUTLIER -159.35 -43.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.455 HG21 ' HE2' ' A' ' 54' ' ' PHE . 33.7 m -89.35 171.38 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.785 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -141.74 122.6 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.088 . . . . 0.0 110.258 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -66.78 97.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.435 ' SD ' HD12 ' A' ' 29' ' ' ILE . 9.7 ptm -65.19 157.61 76.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.32 25.08 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.522 1.801 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -70.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -172.4 -40.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -137.29 118.84 14.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -144.69 96.84 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -150.19 161.05 43.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.59 154.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 71' ' ' VAL . . . -97.16 96.71 8.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 72' ' ' SER . 0.4 OUTLIER 53.82 172.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.517 ' N ' HG13 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -115.99 149.36 43.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.464 1.771 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 159.22 15.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -171.98 146.43 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -103.67 134.79 46.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.624 HD23 ' H ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -136.26 168.21 19.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.624 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -107.05 159.58 29.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 18.5 Cg_endo -74.95 152.98 41.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 18.4 Cg_endo -74.99 170.07 21.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 110.993 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.6 t -114.55 150.88 34.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.7 p -83.63 157.71 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.9 169.93 16.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.959 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 tp -121.98 170.93 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.9 p -133.49 167.4 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.78 175.34 9.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 73.3 p -142.04 178.44 7.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.0 p -153.21 172.46 16.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -141.54 153.12 23.88 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.561 1.163 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -177.14 3.25 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.07 165.51 35.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.5 p -115.53 168.22 10.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.65 106.05 8.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -80.8 102.86 10.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.979 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.28 -150.59 22.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p 57.87 163.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 109.989 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -147.8 166.25 28.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.62 142.65 13.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.559 ' CD1' ' CG2' ' A' ' 32' ' ' VAL . 19.2 m-85 -134.49 143.63 47.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -97.85 143.67 28.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HB1' ' HD2' ' A' ' 24' ' ' PHE . . . -80.96 121.46 26.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 60' ' ' GLU . 12.9 mt -75.53 -48.6 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -127.95 161.99 52.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 120.41 6.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -99.5 167.74 10.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -133.5 134.23 43.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' CB ' ' HB3' ' A' ' 21' ' ' GLU . . . -132.48 114.5 14.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.1 26.26 10.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -136.31 159.78 40.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -85.05 72.66 10.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.549 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 178.84 -37.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HB3' ' CB ' ' A' ' 16' ' ' ALA . 11.4 mt-10 -85.82 146.12 26.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.459 ' CG ' ' HB3' ' A' ' 50' ' ' ASN . 2.7 ttm -102.64 150.09 23.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.3 p -115.47 132.33 56.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.413 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 14.3 p90 -152.16 156.16 39.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -113.61 139.27 49.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.7 p -40.36 125.2 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.77 44.9 2.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 80.7 m-20 -141.48 120.22 12.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.8 mm -71.46 124.4 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.7 mt -112.07 134.59 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -92.44 93.34 8.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.329 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.559 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 46.2 t -74.91 125.27 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.5 79.0 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -47.13 -32.31 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -55.8 -60.36 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.8 m -50.84 124.33 10.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -114.42 162.55 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.58 -99.92 0.15 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.42 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 5.0 mm-40 -69.35 165.09 43.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.415 ' CD ' ' CD ' ' A' ' 39' ' ' GLU . 18.4 Cg_endo -75.02 -85.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.43 57.23 5.03 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.508 1.13 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.42 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 90.4 m95 -143.67 125.75 15.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.589 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 23.6 mt -109.12 116.93 32.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -83.95 116.0 22.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.03 158.67 16.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.3 p -117.89 115.65 25.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.79 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 28' ' ' ASP . 21.2 t80 -118.8 172.15 7.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' PHE . 2.4 mt-30 -35.16 110.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.52 36.39 0.1 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.459 ' HB3' ' CG ' ' A' ' 22' ' ' MET . 3.2 m-80 -138.92 119.43 13.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 0.733 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -137.2 114.2 10.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.63 -169.88 27.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -112.04 152.32 28.32 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.589 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 31.4 p90 -145.47 160.43 45.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 130.02 12.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' ' 43' ' ' LEU . 44.7 t -71.75 77.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -160.22 -45.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -86.5 43.35 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.426 ' N ' HD12 ' A' ' 11' ' ' LEU . 29.8 m -151.02 140.5 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.506 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -118.65 94.42 4.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.264 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -41.65 132.21 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.9 162.13 21.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.65 43.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.5 1.789 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 95.5 p -144.29 100.96 3.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.4 t -171.34 119.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.56 80.67 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -65.64 130.0 41.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -114.33 145.25 42.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.13 67.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.38 130.88 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.4 p -42.04 131.41 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.2 133.38 87.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 78.43 2.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -161.17 133.03 5.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.15 130.2 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -168.77 174.44 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.1 tt 65.65 124.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.09 165.78 16.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 124.53 8.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 171.36 18.46 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.3 p -95.17 174.25 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.442 HG22 ' H ' ' A' ' 83' ' ' SER . 8.5 p -132.83 168.29 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 82' ' ' VAL . 71.2 p -160.49 161.75 32.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.47 177.97 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.75 171.35 18.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -135.11 164.25 28.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 38.7 m -149.04 125.26 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.7 p -96.14 174.95 6.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -154.06 154.07 25.26 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -171.94 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.7 p -145.63 166.59 25.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m -144.21 169.46 17.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 110.949 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 m -51.33 -57.99 7.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.961 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 m -69.43 104.91 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.56 -104.06 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 p -77.19 163.29 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.99 -53.07 2.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.93 118.0 0.97 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.556 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 18.1 m-85 -125.52 166.6 16.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ttp85 -116.77 118.38 32.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.8 132.6 31.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 60' ' ' GLU . 15.1 mt -87.87 -44.54 10.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -143.15 156.42 61.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 101.77 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.596 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 2.3 t80 -104.67 138.86 40.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.519 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 4.1 tt0 -91.74 141.33 28.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.245 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.99 86.94 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -105.0 49.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -138.97 -156.25 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.21 -68.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.607 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.25 55.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.596 ' OE2' ' CZ ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -93.29 157.44 16.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.439 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 2.0 ttm -99.46 158.15 15.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 76.1 p -123.98 131.32 53.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -155.56 173.77 16.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -130.13 145.45 51.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -40.34 158.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.44 44.56 97.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.601 ' OD1' ' CE1' ' A' ' 47' ' ' PHE . 2.1 t0 -134.64 139.37 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.452 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 42.6 mm -86.49 116.31 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.4 mm -101.21 110.45 28.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -70.05 73.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.556 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 61.4 t -74.27 141.16 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -105.97 104.99 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.07 52.71 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.42 -51.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 m -51.27 128.58 22.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 p -106.29 146.08 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.23 -100.87 0.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.575 1.172 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 5.5 mm-40 -70.57 161.64 75.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 0.747 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -76.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.42 62.48 2.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.425 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 85.6 m95 -147.49 140.91 25.36 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 93.7 mt -119.12 119.44 34.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -92.82 126.77 38.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.37 -168.56 11.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.2 p -144.52 115.29 7.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CE1' ' OD1' ' A' ' 28' ' ' ASP . 45.6 t80 -120.67 172.32 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.496 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.48 111.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.84 33.18 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' GLN . 5.8 m-80 -137.08 113.56 10.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -135.8 109.4 7.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.97 -170.16 26.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -108.41 146.74 32.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.695 ' HE1' HG21 ' A' ' 59' ' ' VAL . 45.6 p90 -140.48 160.72 58.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.47 14.32 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.6 p -70.73 64.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 108.337 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -143.27 -47.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.613 ' O ' HG13 ' A' ' 59' ' ' VAL . 88.8 m-85 -86.48 43.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.695 HG21 ' HE1' ' A' ' 54' ' ' PHE . 19.5 m -158.7 137.13 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.484 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -113.53 123.47 50.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -69.83 106.29 3.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.3 ptp -58.2 159.19 11.79 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 98.87 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.3 t -84.06 95.68 8.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.82 124.79 12.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.95 168.36 14.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.89 162.96 14.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.78 117.64 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.7 tptm 56.07 87.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.43 83.16 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.7 m -115.59 120.62 65.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.0 p -127.89 86.87 57.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 70.62 5.25 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -121.86 91.97 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -70.69 90.98 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.172 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.09 168.26 10.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.11 131.98 44.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 0.5 OUTLIER -111.18 143.85 29.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 78' ' ' LEU . 18.3 Cg_endo -74.98 155.5 43.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.7 9.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -160.81 119.77 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 30.8 m -125.97 177.86 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.58 170.99 14.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.77 151.51 22.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 p -157.74 163.99 37.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.66 174.95 9.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.7 t -173.05 136.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.7 t -128.35 173.65 10.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.68 116.94 0.75 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.534 1.147 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 177.62 8.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.6 p -137.8 171.47 14.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.7 p -145.6 171.04 15.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.555 1.16 . . . . 0.0 111.009 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 m -166.1 -62.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.989 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 p -148.4 88.81 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.52 53.86 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.05 154.5 48.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.407 ' HB3' ' CE1' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -124.36 164.23 20.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.01 94.15 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 27.2 m-85 -87.83 169.77 11.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.427 ' CB ' ' HG3' ' A' ' 62' ' ' MET . 44.8 ttp180 -128.48 114.65 17.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.9 119.67 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.782 HD11 ' HB2' ' A' ' 60' ' ' GLU . 31.4 mt -77.78 -46.21 22.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -127.29 154.19 77.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.3 2.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.451 ' HB2' ' CE2' ' A' ' 58' ' ' TYR . 6.0 t80 -114.92 124.94 52.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.53 157.42 16.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.64 87.49 5.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.87 -38.26 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -176.93 -163.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.5 m170 52.15 -171.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.596 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -85.5 49.24 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.78 156.98 20.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.5 ttp -91.44 151.65 20.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 p -124.99 133.18 53.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -162.85 158.64 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -115.66 150.23 37.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -50.77 159.84 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.55 26.65 74.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -133.56 121.36 22.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 mm -63.13 138.25 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mm -116.72 108.33 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -69.8 73.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.517 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 84.9 t -70.14 139.73 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.27 105.73 16.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -83.39 51.53 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -143.71 -47.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.519 HG21 ' CD2' ' A' ' 44' ' ' TYR . 53.6 m -63.59 132.52 51.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.9 t -118.93 148.09 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.424 ' HA3' ' CH2' ' A' ' 53' ' ' TRP . . . -166.76 -100.98 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.601 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -75.23 163.72 65.96 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -81.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.65 55.25 4.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.601 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 80.4 m95 -145.61 153.24 40.83 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.543 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 13.7 mt -132.86 123.99 27.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.519 ' CD2' HG21 ' A' ' 36' ' ' THR . 25.7 t80 -96.32 126.61 41.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.15 -175.57 14.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 m -133.71 115.31 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 0.0 109.988 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 33.7 t80 -119.58 172.42 7.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.467 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 3.8 mt-30 -35.04 108.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.86 33.42 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' GLN . 18.2 m120 -136.86 114.24 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -135.09 109.84 8.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.26 -169.89 24.14 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.458 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 72.7 m95 -101.25 124.97 47.79 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 24.0 p90 -120.85 160.7 43.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.03 131.19 13.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.427 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.0 p -65.68 -22.88 66.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 108.308 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.411 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 7.2 p-10 -84.53 53.55 2.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.551 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 1.4 m-85 -159.96 -43.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 m -87.8 156.7 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.782 ' HB2' HD11 ' A' ' 11' ' ' LEU . 1.2 tt0 -124.4 130.2 52.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -69.82 115.25 8.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.427 ' HG3' ' CB ' ' A' ' 9' ' ' ARG . 2.0 mtm -96.92 160.19 29.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 138.5 23.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.61 92.48 5.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.5 p -137.74 80.3 1.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.6 79.55 4.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 57.77 169.82 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.16 172.49 8.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.07 151.5 22.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.17 155.31 23.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.7 p -52.12 125.92 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.12 124.72 88.4 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.47 2.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.468 1.773 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 163.61 19.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -165.36 129.93 2.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.07 169.1 18.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tp -165.14 124.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.28 128.21 93.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 152.52 40.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.808 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -166.11 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.7 t -138.77 141.62 38.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.411 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.7 t -134.51 139.51 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 m -123.07 163.69 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 tp -144.26 100.55 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.0 p -72.35 173.38 8.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.966 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.33 158.68 44.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.8 p -118.95 166.3 13.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.3 m -167.93 171.44 9.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.044 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.55 156.97 21.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -174.57 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.3 p -161.23 164.86 30.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.29 165.96 10.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -47.47 144.3 3.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.754 . . . . 0.0 110.063 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 p -165.73 99.47 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.19 98.31 0.39 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -109.38 163.69 13.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.738 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -113.71 -55.65 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.36 131.8 2.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.472 ' CD1' HG21 ' A' ' 32' ' ' VAL . 18.9 m-85 -133.13 143.8 49.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -99.24 136.45 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.09 120.12 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.416 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 33.2 mt -71.69 -55.86 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -125.71 158.39 65.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.3 12.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 3.2 t80 -139.61 140.57 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.477 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -102.47 143.17 32.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' CB ' ' HB3' ' A' ' 21' ' ' GLU . . . -58.78 149.47 26.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.27 -43.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -61.01 -169.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -77.3 -44.69 28.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.577 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.24 61.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HB3' ' CB ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -99.74 157.61 16.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.4 ttp -107.62 142.89 36.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.5 p -113.23 134.41 54.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -155.76 -179.74 8.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -135.91 147.54 48.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.0 p -52.96 134.19 37.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.23 35.58 5.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.532 ' HB3' ' CE1' ' A' ' 47' ' ' PHE . 17.6 m-20 -137.61 122.86 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.3 mm -73.59 120.01 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.7 mt -106.11 119.66 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -78.85 91.31 4.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.472 HG21 ' CD1' ' A' ' 8' ' ' TYR . 76.8 t -77.3 150.37 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -117.07 82.74 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -43.4 -45.76 6.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -42.54 -61.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.7 m -53.34 127.11 23.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 38' ' ' GLY . 13.0 p -127.63 161.61 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' N ' HG22 ' A' ' 37' ' ' VAL . . . 177.28 -99.56 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.51 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -68.15 165.04 36.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 110.258 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -78.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -86.87 59.02 4.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.51 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 81.8 m95 -153.42 125.41 7.87 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 15.1 mt -114.18 135.63 53.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.597 ' CD1' ' CD1' ' A' ' 53' ' ' TRP . 27.9 t80 -99.73 137.97 37.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.57 -179.56 28.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.1 m -129.48 115.9 18.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 28' ' ' ASP . 42.5 t80 -115.31 172.22 7.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.495 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.05 109.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.45 36.14 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.2 m-80 -140.13 119.87 13.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -134.57 109.89 8.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.76 -170.34 25.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.597 ' CD1' ' CD1' ' A' ' 44' ' ' TYR . 20.3 m95 -111.13 147.03 35.77 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 46.6 p90 -136.44 160.99 64.64 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 135.63 19.23 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.0 t -79.14 94.41 5.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 108.321 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 4.8 p-10 -178.93 -39.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -90.19 23.65 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.0 m -131.33 154.57 40.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -133.57 103.32 5.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -50.79 115.06 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.7 mtm -88.33 160.15 45.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 111.051 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 132.66 15.76 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.88 89.28 6.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.4 t -157.13 76.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.86 107.25 6.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 173.66 96.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.79 156.95 28.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.96 163.13 23.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.83 154.23 29.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.532 ' O ' HG13 ' A' ' 71' ' ' VAL . 2.2 p -109.95 111.54 36.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.88 117.89 69.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 65.26 6.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.786 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -68.12 140.09 56.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -74.24 163.36 27.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -177.76 167.72 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.7 175.23 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 mt -118.23 115.09 36.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 160.25 40.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.543 1.812 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -178.19 4.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.7 m -156.02 136.35 13.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.3 m -125.79 176.59 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.7 p -162.09 171.99 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.0 HD13 ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -174.55 146.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.5 ' N ' HD22 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -138.89 173.68 11.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -161.92 176.05 11.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.4 t -163.32 165.54 24.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 110.391 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.6 p -168.42 171.09 9.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.59 101.78 0.18 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.493 1.12 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -179.36 4.91 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.512 1.796 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.0 t -141.42 175.19 9.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.7 172.09 14.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t -68.79 118.93 12.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 p -61.86 146.6 49.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.29 164.04 22.36 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -142.27 170.12 16.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.003 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -112.06 -68.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.99 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.55 76.88 1.0 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.574 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 18.8 m-85 -83.99 166.51 17.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.418 ' HB3' ' CG ' ' A' ' 60' ' ' GLU . 5.3 ttp85 -118.4 129.24 55.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.4 120.68 16.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.746 HD11 ' HB3' ' A' ' 60' ' ' GLU . 14.0 mt -80.65 -46.15 16.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -127.96 155.16 78.12 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 103.15 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.787 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -85.81 164.93 17.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -137.17 115.26 11.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.08 . . . . 0.0 110.311 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.15 122.07 5.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 10.2 ttm180 -88.19 42.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 1.6 t30 79.98 173.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 76.39 -157.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -88.24 45.51 1.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.42 154.86 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.7 ttm -98.37 157.28 16.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.0 p -133.96 125.8 28.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -147.28 167.31 24.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -109.65 158.02 18.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.9 p -67.49 136.87 55.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.085 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.12 30.68 12.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.599 ' OD1' ' CE1' ' A' ' 47' ' ' PHE . 13.2 t70 -123.04 161.58 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.446 HD12 ' SD ' ' A' ' 62' ' ' MET . 43.8 mm -100.58 115.56 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mm -97.32 107.03 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -69.45 73.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.574 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 92.2 t -70.04 127.14 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.32 88.37 4.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.64 -19.23 9.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -58.16 -56.99 14.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.2 m -63.91 131.6 48.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.398 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.14 155.22 36.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.5 -103.24 0.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 42' ' ' TRP . 0.7 OUTLIER -50.44 161.43 0.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.267 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -85.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.037 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.22 59.42 4.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.466 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 64.4 m95 -143.81 152.49 41.27 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 20.9 mt -133.36 115.06 14.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -84.48 134.65 34.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.81 167.95 27.03 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -125.33 115.36 20.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.599 ' CE1' ' OD1' ' A' ' 28' ' ' ASP . 45.0 t80 -120.38 172.19 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.28 110.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.75 33.85 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.4 m-80 -135.53 113.49 11.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 0.791 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -136.96 109.23 7.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.71 -169.85 27.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -104.29 139.03 39.86 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.64 ' CE1' HG21 ' A' ' 59' ' ' VAL . 7.0 p90 -135.11 161.05 65.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.04 131.02 13.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.552 1.817 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.417 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . 25.2 p -64.92 -19.44 65.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.273 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.503 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 2.8 p-10 -84.63 51.19 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 2.8 m-85 -159.46 -42.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.64 HG21 ' CE1' ' A' ' 54' ' ' PHE . 30.8 m -91.94 157.02 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.746 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -120.92 143.08 49.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -80.55 112.47 17.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.446 ' SD ' HD12 ' A' ' 29' ' ' ILE . 33.6 mtp -78.04 161.32 71.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 158.11 42.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 p -75.42 79.47 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.29 154.95 19.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 66.96 94.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -129.55 119.7 24.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -173.29 84.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.97 111.05 9.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -165.38 72.77 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.36 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.2 m -123.15 55.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.87 144.52 31.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.966 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 116.73 4.66 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -62.71 141.24 58.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mttm 71.03 -173.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 57.88 -179.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 mp -45.47 156.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mp -139.15 154.66 72.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -165.37 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 m -114.42 161.3 18.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.7 m -89.14 176.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.42 177.64 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 tp -151.48 100.52 2.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.37 166.73 12.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -146.3 169.04 19.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.3 p -146.12 -179.13 6.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 179.35 174.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.42 156.35 27.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -169.3 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.63 -58.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.958 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.11 161.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.143 . . . . 0.0 110.961 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m 51.75 95.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 110.019 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 m -111.68 166.69 10.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.8 -141.77 27.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 p 54.01 173.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.794 . . . . 0.0 110.029 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -139.34 -173.42 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.74 89.4 0.15 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.763 ' CD1' HG21 ' A' ' 32' ' ' VAL . 6.1 m-85 -80.63 143.8 32.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -108.44 122.28 46.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.445 ' HB1' ' CD1' ' A' ' 24' ' ' PHE . . . -68.67 123.9 22.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 33.0 mt -79.55 -51.63 9.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -120.66 160.7 43.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.0 11.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 39.1 t80 -126.29 156.31 40.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.592 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -126.19 148.97 49.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.55 126.55 31.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -40.06 78.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -147.91 -176.05 5.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -72.7 91.78 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.631 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 169.54 -34.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.485 ' OE2' ' CZ ' ' A' ' 14' ' ' PHE . 2.9 mt-10 -85.7 167.11 15.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.3 ttp -109.23 145.23 36.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 p -114.25 118.2 33.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.445 ' CD1' ' HB1' ' A' ' 10' ' ' ALA . 31.7 p90 -141.42 164.53 29.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -121.16 141.38 50.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 p -40.57 139.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.6 44.99 7.04 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -141.14 126.7 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.2 mm -79.72 125.32 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.1 mt -110.9 127.06 68.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -81.51 87.35 6.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.763 HG21 ' CD1' ' A' ' 8' ' ' TYR . 24.2 t -67.92 122.03 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.12 79.75 4.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -47.66 -30.39 3.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -54.58 -61.39 2.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.993 HG21 ' CD2' ' A' ' 44' ' ' TYR . 15.9 m -50.81 130.18 24.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.383 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 p -122.55 162.35 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.78 -99.22 0.14 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 6.5 mm-40 -69.36 162.15 68.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.784 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -79.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.65 60.28 3.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 89.6 m95 -147.39 121.87 9.73 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -94.37 146.78 23.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.993 ' CD2' HG21 ' A' ' 36' ' ' THR . 33.5 t80 -127.25 110.2 12.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.6 176.2 18.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.6 p -119.11 114.9 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.451 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 29.1 t80 -114.32 172.27 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.451 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.0 mt-30 -34.94 105.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 36.05 34.47 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' GLN . 25.0 m120 -141.12 123.42 15.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -139.62 117.69 11.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.73 -169.78 27.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -106.1 174.47 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.625 ' CE1' HG21 ' A' ' 59' ' ' VAL . 4.6 p90 -174.8 159.74 2.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' ASN . 18.3 Cg_endo -75.01 128.72 11.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.435 1.755 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 29.2 p -67.58 72.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 108.271 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' PRO . 62.4 t30 -153.04 -46.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.437 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 69.7 m-85 -73.31 -1.71 19.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.625 HG21 ' CE1' ' A' ' 54' ' ' PHE . 35.3 m -122.44 -178.19 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -160.16 102.49 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -45.45 130.38 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.2 mtm -108.86 161.94 21.83 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 145.31 31.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.2 t -161.95 76.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.5 p -156.05 89.85 1.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -176.54 154.25 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -150.5 116.0 5.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -165.59 56.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -85.5 138.43 32.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.27 78.37 5.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 71' ' ' VAL . 12.9 p -105.43 62.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.55 89.61 10.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 104.64 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -88.3 168.44 12.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.36 139.51 49.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.23 166.95 28.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.37 127.61 17.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -113.74 130.5 23.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.56 18.07 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 132.51 15.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.3 t -163.14 153.39 16.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.6 p -154.4 135.48 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 m -123.71 154.66 39.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.84 168.68 18.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.62 165.03 33.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -128.38 172.92 10.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.2 t -161.39 163.98 30.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.68 173.16 10.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 110.046 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.21 152.6 23.91 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.61 2.97 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.52 162.96 6.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.2 158.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -178.8 -59.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.752 . . . . 0.0 109.982 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.86 -61.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.61 108.61 1.27 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.85 144.63 49.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.763 . . . . 0.0 110.032 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 m -151.88 175.52 12.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.9 137.53 6.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -124.15 140.22 53.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.6 ttp85 -96.57 126.19 41.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.61 120.75 13.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 mt -78.66 -49.11 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -125.66 156.01 71.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 18.4 Cg_endo -74.99 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.445 1.76 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.455 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 4.6 t80 -119.42 139.08 52.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.4 149.54 39.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.4 172.97 2.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.35 -35.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -50.96 -60.22 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 173.95 -65.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.601 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -114.64 54.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.32 165.04 11.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.9 ttm -99.54 156.07 17.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 p -119.86 120.64 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -149.73 175.36 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.0 m-80 -126.12 162.4 25.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.2 p -62.29 134.31 56.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.31 46.93 5.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -139.35 123.4 17.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.743 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.5 mm -74.51 121.79 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.1 mt -107.21 112.9 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.05 87.32 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.2 t -74.56 144.08 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.96 95.71 5.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -37.21 62.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.25 -57.63 5.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.567 HG21 ' CD2' ' A' ' 44' ' ' TYR . 18.8 m -54.67 132.55 45.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.368 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.96 155.06 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.4 -103.57 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.421 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 6.6 mm-40 -57.44 163.96 3.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -82.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.514 1.797 . . . . 0.0 111.057 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.92 59.82 3.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.454 ' C ' HD22 ' A' ' 43' ' ' LEU . 93.4 m95 -148.35 119.82 7.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.601 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -97.33 162.3 13.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CD2' HG21 ' A' ' 36' ' ' THR . 38.6 t80 -133.75 114.55 13.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.01 174.98 20.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.444 1.09 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.0 m -117.29 114.95 24.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 110.023 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.5 ' CZ ' ' NE2' ' A' ' 48' ' ' GLN . 40.3 t80 -114.45 171.88 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.5 ' NE2' ' CZ ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -34.83 106.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 36.0 35.53 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 48' ' ' GLN . 24.7 m120 -142.39 120.73 12.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -136.36 110.88 8.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.73 -170.07 28.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 52.8 m95 -94.28 174.19 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 43' ' ' LEU . 4.3 p90 -173.53 159.11 3.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.03 126.02 9.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.458 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 11.8 p -63.74 -16.75 61.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -75.06 -14.47 60.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.575 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 6.0 m-85 -102.26 28.27 6.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 58' ' ' TYR . 33.4 m -157.33 161.72 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.97 92.26 3.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -42.13 101.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.9 ptm -75.86 158.86 82.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 179.71 5.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.8 m -106.09 75.81 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.3 p -138.52 141.75 39.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -101.02 -52.02 3.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.0 t30 173.47 151.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -78.68 170.71 16.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -134.09 88.38 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -120.5 68.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -78.41 142.55 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.8 m -106.84 147.2 34.61 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.57 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -51.35 174.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -118.49 163.26 17.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.59 83.99 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.4 174.19 10.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.36 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 79' ' ' PRO . 3.2 pp -68.46 154.14 94.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 18.3 Cg_endo -75.01 149.6 36.89 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -74.98 -175.59 2.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.782 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.2 m -121.22 136.61 54.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.9 m -109.48 173.53 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.6 p -148.1 176.17 10.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.59 161.37 13.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.5 p -168.37 164.48 12.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -174.0 142.51 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.2 p -107.53 -174.96 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.369 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 m -166.46 162.69 17.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.52 129.74 2.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -175.92 2.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.0 170.84 20.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.74 170.57 15.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 110.954 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.79 -57.47 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.767 . . . . 0.0 110.025 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 46.26 80.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.43 -71.62 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.32 163.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.7 -63.37 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.49 137.86 2.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.527 ' CD1' HG21 ' A' ' 32' ' ' VAL . 27.7 m-85 -140.35 146.23 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.3 ttp85 -102.07 142.11 33.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.62 109.11 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -61.7 -58.58 7.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -124.18 160.5 52.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 127.9 11.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.417 1.746 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -136.82 141.18 42.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 2.9 mt-10 -101.66 145.06 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.8 121.5 6.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.39 -37.97 12.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.26 -168.37 2.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -90.8 -31.03 16.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.613 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.89 41.68 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.51 159.84 14.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.458 ' CE ' HD13 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -99.44 138.25 36.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 p -106.94 132.89 52.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -155.93 176.05 13.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -137.33 153.22 50.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.6 p -51.09 135.02 26.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.21 50.72 3.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 77.2 m-20 -148.66 117.53 6.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.7 mm -73.5 123.76 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.458 HD13 ' CE ' ' A' ' 22' ' ' MET . 17.5 mt -108.71 150.18 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -104.27 98.16 8.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' A' ' 8' ' ' TYR . 55.1 t -84.21 139.88 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.56 92.92 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.42 -32.6 50.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -51.13 71.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.666 HG21 ' CD2' ' A' ' 44' ' ' TYR . 32.4 m -50.81 145.59 6.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.379 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.653 HG23 ' HH2' ' A' ' 53' ' ' TRP . 35.3 m -57.49 166.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.86 132.33 1.59 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.1 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 168.76 0.45 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.08 8.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.769 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.17 16.97 5.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -131.88 154.79 48.84 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.511 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 30.2 mt -138.96 125.36 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.666 ' CD2' HG21 ' A' ' 36' ' ' THR . 50.5 t80 -103.99 144.38 31.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.36 171.1 32.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -129.34 118.35 22.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' GLN . 22.5 t80 -118.0 172.2 7.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' PHE . 2.3 mt-30 -35.16 110.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.67 37.05 0.13 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.443 1.089 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -143.16 112.82 6.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -135.31 113.35 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' CA ' ' HB2' ' A' ' 22' ' ' MET . . . -157.97 -170.6 22.91 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.653 ' HH2' HG23 ' A' ' 37' ' ' VAL . 36.3 m95 -107.04 149.41 27.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 48.7 p90 -145.67 159.95 45.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.2 23.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 29.2 p -75.67 69.41 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -151.7 -46.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.347 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.482 ' O ' HG13 ' A' ' 59' ' ' VAL . 78.8 m-85 -85.24 45.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 58' ' ' TYR . 30.0 m -155.4 165.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.07 117.77 7.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -52.2 121.31 6.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.6 mmm -100.83 162.09 21.75 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 140.02 25.09 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.1 t -126.09 95.56 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.87 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 53.99 80.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 40.82 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.78 106.67 1.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.86 123.96 43.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.29 136.08 35.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.4 t -93.38 143.91 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.2 m -78.77 142.82 61.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.87 13.77 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.72 170.7 8.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.05 120.48 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.45 174.83 11.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 tt -94.39 151.37 19.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -139.47 154.45 71.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 163.1 35.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.45 11.23 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.2 p -127.0 176.86 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.443 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.85 176.33 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.246 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 m -134.57 169.59 17.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.62 HD23 ' C ' ' A' ' 84' ' ' LEU . 0.8 OUTLIER -123.13 154.37 38.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.418 ' N ' HD23 ' A' ' 84' ' ' LEU . 92.2 p -178.15 151.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.038 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -175.94 157.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.0 t -172.98 153.61 2.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.07 168.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.29 126.81 2.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.553 1.158 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.45 5.01 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.91 135.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.17 170.45 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.491 ' HG ' ' HD1' ' A' ' 8' ' ' TYR . 89.4 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.8 108.01 2.13 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.491 ' HD1' ' HG ' ' A' ' 6' ' ' SER . 41.8 m-85 -135.71 155.71 49.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -121.17 116.51 25.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.5 116.26 4.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.878 HD12 ' O ' ' A' ' 58' ' ' TYR . 3.4 mt -65.27 -61.22 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -115.55 156.61 45.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 18.3 Cg_endo -75.01 113.66 3.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.474 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 9.9 t80 -110.7 144.76 39.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.474 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 4.8 tt0 -110.08 139.22 45.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -97.6 163.8 12.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.69 162.32 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 p -136.13 122.95 21.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.047 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -157.5 162.83 38.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 71.3 m-80 -111.3 170.57 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.9 p -70.51 147.29 49.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.952 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.9 21.37 61.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -122.2 122.05 38.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.9 mm -61.62 139.33 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 mm -118.87 105.1 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -68.48 74.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 99.5 t -71.0 132.52 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -91.32 101.44 14.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.98 54.24 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.339 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.481 ' O ' HG23 ' A' ' 37' ' ' VAL . 23.5 mtmt -148.43 -48.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.9 m -56.84 129.31 40.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 35' ' ' LYS . 59.0 t -119.31 149.15 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.64 -100.64 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 5.7 mm-40 -63.11 164.77 12.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.91 59.97 4.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.407 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 83.1 m95 -141.29 151.97 44.1 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 17.4 mt -127.9 130.4 48.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.508 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 38.2 t80 -107.7 134.32 50.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.04 -177.72 19.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -138.0 116.16 11.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.458 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 31.6 t80 -121.36 172.25 8.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 3.7 mt-30 -35.13 110.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.01 34.79 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 69.6 m-20 -139.02 110.73 7.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -136.26 116.89 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.96 -170.87 28.46 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.565 1.165 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.508 ' CE3' ' HB2' ' A' ' 44' ' ' TYR . 67.4 m95 -107.82 124.99 50.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 43' ' ' LEU . 42.8 p90 -119.21 160.79 39.91 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.467 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -74.98 134.29 17.67 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.415 ' HA ' HD12 ' A' ' 43' ' ' LEU . 26.7 p -70.45 94.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 108.291 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 t30 173.69 -60.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.235 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.878 ' O ' HD12 ' A' ' 11' ' ' LEU . 15.1 m-85 -44.72 -39.35 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.6 m -89.09 153.01 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.732 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -131.97 116.05 16.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.347 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -48.69 126.86 12.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 78' ' ' LEU . 2.2 pt? -112.71 156.14 42.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 162.44 37.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -178.18 3.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.0 t -123.97 161.56 25.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.62 137.33 55.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.53 166.71 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 85' ' ' SER . 2.4 tt -137.52 156.59 47.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.42 ' N ' HD23 ' A' ' 84' ' ' LEU . 53.2 p -63.88 169.68 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -147.75 -177.57 5.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.664 HG23 ' N ' ' A' ' 88' ' ' SER . 0.6 OUTLIER 45.67 -171.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 110.389 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.664 ' N ' HG23 ' A' ' 87' ' ' THR . 34.2 p -177.68 175.5 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.31 100.39 1.35 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.05 4.62 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.0 p -135.34 174.38 10.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.038 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 t -150.29 75.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.029 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.11 133.59 6.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.489 ' CD1' HG21 ' A' ' 32' ' ' VAL . 28.1 m-85 -138.06 145.26 41.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.749 . . . . 0.0 110.962 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -101.9 126.81 48.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.97 128.1 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 60' ' ' GLU . 18.5 mt -79.04 -52.32 8.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -121.42 160.18 47.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 103.88 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . 64.0 t80 -105.43 136.28 45.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -104.58 151.16 23.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.436 ' HB2' ' C ' ' A' ' 22' ' ' MET . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 40.1 mt-10 -112.15 153.0 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.436 ' C ' ' HB2' ' A' ' 16' ' ' ALA . 2.6 ttm -98.22 155.73 17.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.94 114.86 21.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 14' ' ' PHE . 21.6 p90 -138.58 169.15 18.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -122.89 144.47 49.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.7 p -48.89 137.32 12.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.02 42.1 6.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.56 ' HB3' ' CE1' ' A' ' 47' ' ' PHE . 73.1 m-20 -139.89 123.97 17.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.424 HD12 ' SD ' ' A' ' 62' ' ' MET . 28.6 mm -71.23 124.92 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.7 mt -112.08 125.95 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -82.1 93.38 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 8' ' ' TYR . 54.1 t -78.96 139.72 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.43 75.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -41.73 -40.45 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -49.09 -58.26 5.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.45 HG21 ' CD2' ' A' ' 44' ' ' TYR . 51.8 m -50.85 124.23 10.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 p -116.13 160.42 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.95 -103.56 0.19 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.21 163.4 3.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -82.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.464 ' C ' ' CD1' ' A' ' 42' ' ' TRP . . . -92.02 62.17 2.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.464 ' CD1' ' C ' ' A' ' 41' ' ' GLY . 31.5 m95 -147.26 137.42 23.23 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 15.0 mt -115.91 121.86 43.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.45 ' CD2' HG21 ' A' ' 36' ' ' THR . 18.3 t80 -87.71 127.43 35.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.44 167.76 24.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.0 p -123.14 115.68 22.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 28' ' ' ASP . 33.6 t80 -113.49 172.25 7.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.465 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.14 109.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.34 34.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' GLN . 73.8 m-20 -139.84 118.13 12.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.7 OUTLIER -135.52 117.4 15.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.958 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.48 -169.96 26.61 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 56.8 m95 -107.69 149.75 27.76 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 26.5 p90 -149.07 160.54 34.78 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.78 38.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.4 p -90.82 44.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.325 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -137.27 14.33 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -135.76 9.09 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.1 m -127.49 158.74 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.413 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -128.77 121.79 29.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.477 ' HG3' ' CE2' ' A' ' 8' ' ' TYR . 11.1 tttt -60.39 97.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.424 ' SD ' HD12 ' A' ' 29' ' ' ILE . 24.3 ptm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.16 149.07 39.59 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 173.27 14.8 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.9 t -115.52 124.81 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 p -94.59 146.89 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.1 p -115.75 169.15 9.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.22 162.55 13.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.2 m -141.92 164.62 29.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.7 172.79 7.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -156.36 152.75 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 p -129.19 174.96 9.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -151.48 105.2 0.28 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -179.41 4.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.1 p -151.12 174.24 13.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.49 169.21 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.13 124.67 3.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.67 ' CD1' HG21 ' A' ' 32' ' ' VAL . 8.5 m-85 -123.43 144.57 49.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.626 ' NE ' HD11 ' A' ' 29' ' ' ILE . 8.1 ttm180 -107.79 125.43 51.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.62 118.82 8.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.6 mt -72.09 -42.81 65.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -128.79 157.54 75.12 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 101.03 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.521 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 1.6 t80 -107.8 149.47 28.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.427 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 3.5 tt0 -130.09 126.48 37.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t0 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -86.1 153.56 22.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.0 ttp -105.29 147.36 28.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.6 p -112.87 142.11 45.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 14' ' ' PHE . 6.5 p90 -164.23 170.12 16.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -119.22 158.24 26.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.0 p -60.78 140.14 57.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.947 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 9.22 60.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.112 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.601 ' CG ' ' CE1' ' A' ' 47' ' ' PHE . 1.1 t0 -97.21 135.38 39.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.626 HD11 ' NE ' ' A' ' 9' ' ' ARG . 36.6 mm -98.74 93.97 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.4 mt -78.75 143.68 12.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 29' ' ' ILE . 8.0 mp0 -99.63 89.36 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.67 HG21 ' CD1' ' A' ' 8' ' ' TYR . 73.9 t -74.34 120.59 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -93.91 76.28 4.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -41.37 -29.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -54.91 -53.64 52.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.2 m -50.97 130.32 25.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.439 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 p -90.3 156.66 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.84 -167.17 40.3 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -48.04 157.63 0.62 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -52.03 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -86.2 45.82 3.52 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 60.2 m95 -155.0 134.77 12.81 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.59 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 25.8 mt -123.76 120.79 33.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.546 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 18.5 t80 -83.89 133.89 34.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.08 161.42 27.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.0 p -120.57 116.61 25.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.739 . . . . 0.0 110.041 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CE1' ' CG ' ' A' ' 28' ' ' ASP . 46.6 t80 -128.32 172.12 11.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.507 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 3.6 mt-30 -35.17 110.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.8 33.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' GLN . 15.2 m-80 -133.36 112.7 11.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -139.27 107.6 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.74 -169.8 27.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.546 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 67.7 m95 -109.99 133.05 53.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.985 -1.116 . . . . 0.0 107.985 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 35.1 p90 -123.79 160.77 49.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 57' ' ' ASN . 18.4 Cg_endo -74.98 133.24 16.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.499 1.789 . . . . 0.0 111.059 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 28.0 p -69.56 68.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 55' ' ' PRO . 8.6 m-20 -150.55 -48.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.512 ' O ' HG13 ' A' ' 59' ' ' VAL . 84.9 m-85 -85.5 46.41 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 58' ' ' TYR . 18.9 m -155.7 164.63 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.86 95.66 2.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 8' ' ' TYR . 12.0 tttm -47.11 107.78 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.7 mtp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.971 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.8 mp -135.97 157.05 76.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.94 43.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.32 20.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t -166.27 119.94 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.501 HG22 ' H ' ' A' ' 83' ' ' SER . 11.7 p -173.33 170.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.501 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -177.22 127.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.952 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.0 tp -159.09 119.87 3.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.92 148.45 49.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.25 170.11 15.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.2 t -171.12 146.74 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.391 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.9 p -162.64 156.44 20.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.85 96.44 0.1 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 179.23 6.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.8 m -143.69 171.89 13.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.72 170.88 21.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.83 152.14 18.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.608 ' CD1' HG21 ' A' ' 32' ' ' VAL . 30.4 m-85 -139.74 145.67 38.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -104.73 128.64 52.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.96 129.41 38.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.605 HD11 ' HB3' ' A' ' 60' ' ' GLU . 49.1 mt -81.79 -50.62 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -121.04 158.91 51.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 121.37 6.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CE2' ' O ' ' A' ' 15' ' ' GLU . 83.1 t80 -113.64 148.36 36.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.559 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -104.52 157.82 16.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.03 147.75 23.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.464 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 13.0 ttp -101.98 143.51 31.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.3 p -114.18 124.81 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 14' ' ' PHE . 19.1 p90 -143.75 168.66 19.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -126.45 137.1 53.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.3 p -40.23 129.97 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.11 46.85 2.99 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 53.3 m-20 -145.44 126.64 14.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.403 HD12 ' SD ' ' A' ' 62' ' ' MET . 50.2 mm -75.04 127.49 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.2 mt -115.48 129.83 71.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.43 93.36 9.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.608 HG21 ' CD1' ' A' ' 8' ' ' TYR . 38.8 t -75.0 110.34 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -77.08 83.28 3.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.15 -43.42 20.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -49.21 -56.77 8.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.5 m -61.7 125.86 25.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.2 t -136.01 155.21 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.87 -100.08 0.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.521 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 1.3 mm-40 -60.43 163.92 7.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -81.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.533 1.807 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.8 55.47 4.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.521 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 83.0 m95 -145.77 146.08 31.07 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 23.3 mt -128.23 132.34 48.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.497 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 8.0 t80 -100.58 141.48 33.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -155.88 155.82 26.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 m -114.33 115.09 26.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 0.793 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 28' ' ' ASP . 27.0 t80 -114.17 172.22 7.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' PHE . 2.3 mt-30 -34.99 110.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.33 36.73 0.1 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -140.02 120.14 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -136.17 110.24 8.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 22' ' ' MET . . . -155.48 -172.27 22.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.497 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 62.1 m95 -111.08 131.37 55.13 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 53.9 p90 -121.03 161.76 38.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.01 143.79 29.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 27.8 p -86.17 57.26 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.324 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 55' ' ' PRO . 17.5 p30 -167.02 31.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 1.6 m-85 -135.09 -42.07 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -77.52 171.14 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.605 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -134.63 100.19 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -40.52 101.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.403 ' SD ' HD12 ' A' ' 29' ' ' ILE . 27.2 ptm . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.9 mp -100.33 149.82 36.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 169.33 22.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 162.14 37.73 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.431 1.753 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.4 t -142.14 151.21 42.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.402 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.7 m -142.03 175.16 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 81.3 p -163.33 168.5 20.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.939 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.39 172.74 16.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.16 166.35 31.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.47 142.43 23.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.8 p -105.45 178.94 4.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.5 p -162.15 146.6 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.041 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -119.1 150.53 17.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -174.3 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.64 164.62 29.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.4 p -115.18 167.71 10.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.42 139.92 1.59 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.592 ' CD1' HG21 ' A' ' 32' ' ' VAL . 35.5 m-85 -143.2 144.39 32.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -102.35 128.71 48.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.408 ' CB ' ' CD1' ' A' ' 24' ' ' PHE . . . -61.92 116.08 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 60' ' ' GLU . 26.2 mt -67.04 -50.83 60.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -126.03 160.94 54.44 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 113.57 3.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.032 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 6.8 t80 -124.95 131.37 53.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -99.41 140.22 33.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.85 177.43 4.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.37 160.68 20.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m -131.7 123.0 26.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.408 ' CD1' ' CB ' ' A' ' 10' ' ' ALA . 16.0 p90 -151.91 164.46 37.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -114.33 146.51 40.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.1 p -45.23 138.24 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.73 -30.69 9.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.79 127.33 31.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 29' ' ' ILE . 43.4 mm -82.81 121.42 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.1 mt -106.23 142.98 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -103.97 93.09 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.592 HG21 ' CD1' ' A' ' 8' ' ' TYR . 73.9 t -73.51 152.09 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -119.7 76.9 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.11 -36.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -63.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.6 m -53.02 125.82 18.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.43 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 p -128.15 160.94 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.52 -100.76 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.531 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 0.5 OUTLIER -58.35 164.7 3.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.463 0.743 . . . . 0.0 110.29 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -87.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.768 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.38 57.15 5.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.531 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 81.1 m95 -144.72 137.33 26.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 42.2 mt -121.91 125.81 47.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -89.1 134.04 34.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.79 160.33 28.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 p -113.42 138.09 50.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.945 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' GLN . 24.3 t80 -145.49 172.23 13.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' ASN . 3.7 mt-30 -35.19 107.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 34.59 35.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' GLN . 73.3 m-20 -138.03 111.48 8.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -134.48 111.27 9.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.17 -170.0 25.21 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -110.72 143.53 41.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 35.1 p90 -134.94 161.27 64.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 57' ' ' ASN . 18.3 Cg_endo -75.02 128.08 11.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.3 p -65.34 81.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 108.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 55' ' ' PRO . 46.3 t30 -165.77 -43.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.639 ' O ' HG13 ' A' ' 59' ' ' VAL . 93.0 m-85 -87.33 45.53 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 58' ' ' TYR . 15.3 m -158.42 158.62 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.429 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -135.38 130.65 35.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -66.21 99.12 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.4 ptm . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 41.4 mt -110.03 100.56 44.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 154.82 43.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.42 12.81 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.54 1.811 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.4 t -144.46 152.77 41.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.352 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 83' ' ' SER . 8.0 p -165.94 166.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.403 ' N ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -170.84 150.97 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.442 HD13 ' H ' ' A' ' 85' ' ' SER . 0.1 OUTLIER -163.77 138.41 5.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.442 ' H ' HD13 ' A' ' 84' ' ' LEU . 85.9 p -151.94 164.64 36.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -167.6 147.67 5.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 39.9 m -152.51 133.74 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.59 148.49 27.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.84 99.24 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.14 7.65 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.7 173.15 11.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.9 t -134.84 -57.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.44 141.57 13.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.492 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 18.7 m-85 -133.98 144.77 48.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.04 122.51 41.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.62 116.69 5.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 60' ' ' GLU . 7.3 mt -62.32 -62.37 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -115.0 159.48 37.49 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.87 6.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.477 1.778 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.516 ' CD1' ' N ' ' A' ' 15' ' ' GLU . 24.0 t80 -124.1 156.98 35.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.516 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -133.43 143.06 48.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.83 167.75 14.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.1 ttm -102.8 161.1 14.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.8 p -130.49 123.9 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -153.63 168.72 25.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -124.63 145.85 49.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.3 p -48.15 141.45 6.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.47 40.58 8.31 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -140.24 129.67 24.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.467 HD12 ' SD ' ' A' ' 62' ' ' MET . 29.8 mm -74.77 123.53 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.5 mt -111.14 121.69 64.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -79.69 92.61 5.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 110.247 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.492 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 26.6 t -78.39 148.01 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -112.99 105.05 13.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -81.12 -18.81 45.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.86 18.16 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.547 HG21 ' CD2' ' A' ' 44' ' ' TYR . 20.0 m -114.75 131.85 56.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 38' ' ' GLY . 3.7 p -108.28 160.63 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.422 ' N ' HG22 ' A' ' 37' ' ' VAL . . . 167.61 -100.78 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 6.8 mm-40 -80.49 164.61 50.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -85.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.92 58.02 4.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.424 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 81.5 m95 -140.13 149.3 42.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.554 ' O ' ' CE1' ' A' ' 54' ' ' PHE . 88.3 mt -123.6 127.82 48.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 12.1 t80 -99.25 139.89 34.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.5 166.39 31.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 m -121.26 115.23 22.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.022 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' OE1' ' A' ' 48' ' ' GLN . 30.1 t80 -119.01 167.27 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.596 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.0 mp0 -35.4 112.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.32 34.22 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 74.1 m-20 -141.67 110.67 6.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.789 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -135.17 115.39 13.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.73 -170.6 28.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 52.6 m95 -107.14 128.98 54.88 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.554 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 40.1 p90 -119.22 160.23 42.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.81 12.65 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.529 1.805 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 22.1 p -67.06 88.47 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.266 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -174.86 -41.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.585 ' O ' HG13 ' A' ' 59' ' ' VAL . 95.5 m-85 -87.87 41.52 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 58' ' ' TYR . 12.6 m -156.84 131.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.537 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -114.7 110.98 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -50.16 100.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.467 ' SD ' HD12 ' A' ' 29' ' ' ILE . 24.5 ptm . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.83 142.4 37.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 18.3 Cg_endo -75.02 154.68 42.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -75.01 177.14 9.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 p -132.6 157.49 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 p -119.94 150.05 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.75 156.05 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.05 176.4 12.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -177.45 173.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.22 162.64 18.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 55.1 m -157.52 124.47 5.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.05 172.88 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -160.21 156.96 28.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.12 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.05 2.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 84.1 p -140.08 170.73 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.0 p -106.66 167.28 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.69 126.87 1.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.772 ' CD1' HG21 ' A' ' 32' ' ' VAL . 16.8 m-85 -134.27 145.52 49.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -95.75 148.87 22.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.536 ' HB1' ' CD1' ' A' ' 24' ' ' PHE . . . -88.61 119.19 28.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 60' ' ' GLU . 37.9 mt -70.55 -54.91 10.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -119.95 157.49 52.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 111.44 3.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . 7.9 t80 -121.25 122.62 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.3 146.49 24.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.465 ' HB2' ' C ' ' A' ' 22' ' ' MET . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -100.05 171.15 8.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.465 ' C ' ' HB2' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -121.32 176.2 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.952 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.1 m -131.3 131.59 43.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.536 ' CD1' ' HB1' ' A' ' 10' ' ' ALA . 28.0 p90 -155.55 145.83 21.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -104.09 158.2 16.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.6 p -60.34 128.71 38.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.68 38.55 4.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -134.34 125.73 28.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 29' ' ' ILE . 35.3 mm -72.87 119.62 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.413 HD11 ' CG ' ' A' ' 24' ' ' PHE . 8.1 mt -104.47 127.97 58.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -83.25 87.41 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.772 HG21 ' CD1' ' A' ' 8' ' ' TYR . 53.3 t -68.86 157.68 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.13 92.84 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -15.1 27.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -79.17 -66.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.0 m -70.66 126.5 29.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.5 p -144.33 151.52 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.23 -98.82 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.43 1.081 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.5 160.04 83.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -14.22 21.21 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.787 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -125.47 46.3 1.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.505 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 66.0 m95 -153.01 159.55 42.91 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 78.0 mt -142.92 136.11 28.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 5.6 t80 -105.3 139.7 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.84 -176.3 26.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.2 m -136.53 115.55 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 48' ' ' GLN . 24.4 t80 -115.72 172.24 7.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ASN . 3.6 mt-30 -35.13 109.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 34.93 34.82 0.05 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' GLN . 77.3 m-20 -140.55 114.38 8.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -134.01 114.6 13.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.84 -173.44 30.5 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.404 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 53.2 m95 -105.15 132.68 51.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 35.4 p90 -123.35 161.04 47.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.505 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.03 132.15 15.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.5 p -71.74 94.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 108.285 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 170.29 -47.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.505 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.0 m-85 -60.08 -19.87 55.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -101.91 165.98 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.551 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -139.5 115.15 10.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -53.79 109.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.2 ptp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 111.035 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 tp . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.5 142.7 45.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.56 42.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 174.62 12.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.7 p -109.87 168.02 9.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.3 m -112.8 154.88 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.72 169.55 16.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.67 166.63 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.9 p -117.28 167.43 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.67 175.68 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.6 t -143.9 150.23 38.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 p -111.94 172.19 7.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -122.3 154.83 16.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -177.55 3.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.43 170.45 22.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.6 p -119.91 161.92 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.02 119.27 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.475 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 12.4 m-85 -126.29 143.68 51.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -101.83 138.14 39.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.401 ' HB1' ' CD1' ' A' ' 24' ' ' PHE . . . -76.25 120.78 22.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 60' ' ' GLU . 25.7 mt -70.2 -55.07 10.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -122.95 160.16 50.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.62 4.07 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.508 1.793 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 15' ' ' GLU . 81.5 t80 -115.13 148.02 39.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.59 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -107.23 156.94 18.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -117.6 157.11 26.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.3 ttp -114.86 151.73 33.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.44 131.88 56.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.401 ' CD1' ' HB1' ' A' ' 10' ' ' ALA . 13.6 p90 -151.16 173.15 14.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -126.09 147.77 49.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 109.343 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.6 p -52.71 132.36 36.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.18 41.72 4.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -140.04 127.15 20.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.764 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.6 mm -75.85 119.65 24.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -107.44 134.01 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -90.9 94.15 9.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.475 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 37.7 t -78.69 152.35 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -123.64 92.51 3.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.59 55.76 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -149.02 -47.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.3 m -56.07 123.96 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.33 148.14 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.409 ' HA3' ' CH2' ' A' ' 53' ' ' TRP . . . 167.25 178.51 39.58 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -40.71 160.15 0.14 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.539 1.81 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.51 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -81.53 50.5 4.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.51 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 72.8 m95 -154.32 122.75 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 16.9 mt -110.86 118.54 36.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.566 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 42.3 t80 -82.12 115.35 21.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.81 157.09 19.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -115.85 115.33 26.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 26.9 t80 -117.69 172.28 7.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' ASN . 2.6 mt-30 -35.73 112.51 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.68 33.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.6 m-80 -137.36 117.55 13.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -135.72 112.4 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.76 -169.87 27.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 44' ' ' TYR . 39.4 m95 -113.33 137.92 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 43' ' ' LEU . 28.3 p90 -127.99 160.47 61.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.72 14.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.38 94.5 2.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.314 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.6 t30 177.45 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -83.54 3.99 30.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.18 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.0 m -117.44 158.68 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -136.41 101.12 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -47.65 122.67 5.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 111.011 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 pp -134.37 154.31 79.79 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 18.3 Cg_endo -75.01 149.11 36.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -75.06 176.35 10.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 p -125.39 178.12 5.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.42 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.8 p -160.91 129.49 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.541 ' O ' HD22 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -138.32 145.64 41.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 83' ' ' SER . 1.0 OUTLIER -132.5 -166.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.86 178.27 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -156.44 168.49 27.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 77.8 p -139.34 -174.46 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.88 170.61 17.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -138.4 111.14 0.78 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -178.97 4.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 t -134.41 174.39 10.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.0 p -128.42 172.0 11.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.07 127.76 7.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.557 ' CD1' HG21 ' A' ' 32' ' ' VAL . 37.7 m-85 -117.61 147.51 42.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.83 132.68 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.56 120.95 20.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.453 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 48.6 mt -69.67 -51.34 35.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -126.25 162.23 47.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 128.4 11.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 46.9 t80 -126.19 154.9 42.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.521 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 2.8 mp0 -125.7 150.78 47.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -117.19 168.86 9.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.0 ttp -108.69 145.58 34.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.92 113.3 21.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -130.8 168.56 17.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -122.22 147.09 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.7 p -50.37 136.35 20.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.27 46.81 5.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -142.3 128.89 20.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.733 HG22 ' OE1' ' A' ' 31' ' ' GLN . 33.6 mm -74.61 122.76 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.3 mt -110.6 115.74 50.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.733 ' OE1' HG22 ' A' ' 29' ' ' ILE . 1.5 mp0 -74.72 87.5 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 8' ' ' TYR . 24.6 t -66.17 137.66 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.372 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -101.62 98.9 9.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.69 49.22 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -138.61 -51.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.3 m -56.51 128.89 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.45 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.8 p -83.87 156.09 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.363 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.97 -168.85 41.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -44.32 151.56 0.56 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.244 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -39.24 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -95.05 50.1 1.94 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 68.7 m95 -156.02 153.51 29.58 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.587 ' O ' ' CE1' ' A' ' 54' ' ' PHE . 17.8 mt -134.55 127.01 30.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 21.5 t80 -101.67 128.19 48.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.63 160.13 27.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -112.15 116.18 30.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.028 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' GLN . 26.5 t80 -113.6 172.21 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ASN . 2.2 mt-30 -34.96 108.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 34.88 34.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' GLN . 78.4 m-20 -139.39 121.12 15.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -136.01 117.04 14.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -158.76 -171.97 25.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 66.2 m95 -111.84 124.67 52.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 48.4 p90 -115.13 161.92 26.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.5 Cg_endo -74.99 135.17 18.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.783 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.426 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 27.1 p -78.71 91.82 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 108.309 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.426 ' OD1' ' C ' ' A' ' 56' ' ' CYS . 5.1 p-10 164.32 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 2.8 m-85 -77.0 -16.66 59.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.9 m -98.18 165.65 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.453 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -137.06 110.75 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -53.56 101.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.5 ptm . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.02 145.65 98.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.28 16.69 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 127.37 10.62 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.4 t -129.38 142.18 50.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.442 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 p -171.82 150.97 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.32 128.15 47.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.643 ' H ' HD23 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -84.38 155.85 22.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.2 141.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -163.15 168.8 20.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.1 t -155.59 159.22 39.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.0 p -116.42 167.52 10.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -150.59 97.96 0.18 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.13 10.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.81 173.9 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t -172.75 167.89 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.05 113.62 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -121.35 149.26 43.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.29 120.69 34.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.09 124.74 17.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' A' ' 60' ' ' GLU . 27.5 mt -81.88 -43.12 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -134.5 155.74 79.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 105.76 2.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.789 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -105.91 149.98 26.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -125.6 146.93 49.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -135.4 161.59 35.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -103.44 160.67 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.43 112.66 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -133.77 176.09 8.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -126.53 148.64 49.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.73 156.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.012 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.17 39.72 92.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.491 1.12 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -141.9 121.23 13.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 0.807 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.7 mm -63.52 131.73 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' VAL . 5.0 mm -110.87 107.52 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -67.02 74.37 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' ILE . 93.7 t -75.2 136.99 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.36 110.59 22.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -87.98 46.4 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -137.93 -56.06 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.0 m -53.26 125.94 19.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.2 p -103.09 160.56 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.98 -100.8 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.56 1.163 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.537 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 1.5 mm-40 -71.1 163.95 61.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -85.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.82 59.3 4.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.537 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 85.1 m95 -143.05 138.23 29.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.592 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 81.9 mt -114.93 124.2 51.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 25.4 t80 -97.02 132.64 42.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.65 179.71 24.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.5 p -130.32 118.14 20.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.446 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 31.6 t80 -122.18 172.32 8.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.446 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 1.7 mt-30 -35.22 109.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.36 34.49 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.143 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 69.6 m-20 -138.1 112.95 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -134.67 110.47 9.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.49 -169.96 27.71 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.443 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 32.2 m95 -107.38 149.2 28.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 53.9 p90 -143.64 161.2 47.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.04 21.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.536 1.808 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.5 p -78.64 90.68 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.303 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.484 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 4.7 p-10 -172.44 -41.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.48 ' O ' HG13 ' A' ' 59' ' ' VAL . 95.9 m-85 -85.23 48.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 58' ' ' TYR . 17.9 m -154.86 160.47 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.436 ' HB3' HD21 ' A' ' 11' ' ' LEU . 2.8 pt-20 -135.75 104.75 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -47.95 103.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 ptp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -138.91 154.78 73.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.83 17.56 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.455 1.766 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.25 35.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.7 m -108.3 140.97 40.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.5 m -54.53 179.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.8 p -120.53 170.89 8.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.98 128.12 20.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.3 p -115.61 170.19 8.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -148.75 177.86 9.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -166.77 166.88 15.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.5 p -153.35 174.27 14.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -156.53 152.45 23.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -172.73 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 110.958 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 88.4 p -149.98 161.49 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 t -131.08 169.04 16.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.56 127.0 3.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.633 ' CD1' HG21 ' A' ' 32' ' ' VAL . 20.3 m-85 -134.83 144.61 47.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.28 134.01 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -75.38 123.32 25.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 60' ' ' GLU . 20.3 mt -74.78 -47.92 28.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -123.07 159.83 52.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 120.5 6.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -113.25 168.09 10.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -144.66 154.95 43.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -99.65 149.32 23.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.482 ' CE ' ' O ' ' A' ' 45' ' ' GLY . 0.7 OUTLIER -101.47 139.43 37.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.4 p -114.27 133.78 55.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.436 ' CE1' ' HB1' ' A' ' 10' ' ' ALA . 5.0 p90 -149.33 170.53 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -118.71 147.97 43.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.7 p -53.62 130.18 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.33 43.98 3.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -140.09 128.18 22.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.775 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mm -77.51 119.18 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.0 mt -107.49 119.46 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -77.39 86.53 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.633 HG21 ' CD1' ' A' ' 8' ' ' TYR . 64.3 t -68.74 140.13 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.16 94.84 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.71 -29.64 70.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -54.43 43.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.8 m -55.45 127.59 30.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -88.37 157.79 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.489 ' HA3' ' CH2' ' A' ' 53' ' ' TRP . . . 174.44 -172.92 45.78 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -43.13 164.65 0.13 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -61.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.578 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -83.47 47.75 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 71.2 m95 -156.65 126.87 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.496 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 7.4 mt -119.5 133.36 55.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.528 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 17.0 t80 -89.58 132.09 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' CE ' ' A' ' 22' ' ' MET . . . -143.01 149.62 21.51 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.5 p -107.74 127.16 53.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 48' ' ' GLN . 23.0 t80 -129.66 172.12 11.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ASN . 1.8 mt-30 -35.36 111.47 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.41 34.29 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.2 m-80 -137.96 115.98 11.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 2.8 m-85 -135.54 111.43 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.94 -173.15 32.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.528 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 77.5 m95 -102.54 133.14 48.0 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.496 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 7.4 p90 -123.91 160.64 50.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -74.98 127.95 11.11 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.3 p -63.76 -23.63 67.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 108.346 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.434 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 5.7 p-10 -84.18 54.84 3.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.555 ' CD2' ' HG2' ' A' ' 55' ' ' PRO . 1.8 m-85 -163.47 -43.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.3 m -82.04 161.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.525 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -122.47 121.91 37.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 8' ' ' TYR . 13.6 tttt -62.4 98.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 17.4 ptm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.981 HD13 ' HD2' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -102.47 139.17 19.97 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.981 ' HD2' HD13 ' A' ' 78' ' ' LEU . 18.3 Cg_endo -74.97 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t -130.06 145.39 51.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.17 125.3 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.2 p -133.55 172.05 13.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.67 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -151.29 163.17 39.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.486 ' N ' HD22 ' A' ' 84' ' ' LEU . 60.8 p -141.55 -178.87 5.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -139.27 173.22 11.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.5 m -141.69 131.51 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.366 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.25 173.02 6.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -139.6 102.06 0.33 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.31 8.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.75 171.7 12.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.98 168.22 13.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 32' ' ' VAL . 4.1 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.95 106.04 3.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.519 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 19.4 m-85 -122.68 170.15 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -127.38 105.87 8.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 26' ' ' SER . . . -50.64 122.88 7.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.785 HD11 ' HB3' ' A' ' 60' ' ' GLU . 69.8 mt -80.88 -48.87 11.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -126.45 154.8 75.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 108.3 2.69 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.445 1.761 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CE2' ' O ' ' A' ' 15' ' ' GLU . 52.9 t80 -95.34 167.88 11.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.112 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.456 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -127.56 163.66 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 21' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 2.7 mt-10 -117.07 153.16 33.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.44 162.84 14.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.1 p -122.77 126.27 47.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.994 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.555 ' HB2' HD11 ' A' ' 30' ' ' ILE . 15.1 p90 -142.08 145.1 33.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -100.19 140.42 34.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 82.4 p -40.61 151.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.033 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.68 -53.44 4.54 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -44.86 126.13 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.763 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.435 HD12 ' SD ' ' A' ' 62' ' ' MET . 44.9 mm -71.36 125.77 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.555 HD11 ' HB2' ' A' ' 24' ' ' PHE . 8.4 mm -100.35 106.74 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -70.64 73.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.519 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 70.1 t -72.33 139.67 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.14 90.69 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.1 -26.46 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -57.34 -56.93 15.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.9 m -62.89 125.81 25.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -135.24 156.07 38.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.31 -102.08 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -45.96 163.43 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -88.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.93 57.35 4.83 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -147.81 154.65 40.75 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 54' ' ' PHE . 17.4 mt -138.52 131.2 29.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -98.69 135.68 39.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.82 -176.89 19.21 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -134.23 114.99 13.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.055 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' OE1' ' A' ' 48' ' ' GLN . 30.8 t80 -119.06 167.71 11.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.596 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.0 mt-30 -35.05 111.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.2 34.43 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' GLN . 75.5 m-20 -141.76 111.32 6.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -137.39 115.82 11.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.5 -171.57 29.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -98.5 123.88 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 55.1 p90 -121.13 160.79 43.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.01 137.29 21.5 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.459 ' HA ' HD12 ' A' ' 43' ' ' LEU . 23.3 p -68.34 -29.16 67.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 108.278 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -79.74 55.08 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 1.0 OUTLIER -159.35 -43.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.455 HG21 ' HE2' ' A' ' 54' ' ' PHE . 33.7 m -89.35 171.38 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.785 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -141.74 122.6 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.088 . . . . 0.0 110.258 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -66.78 97.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.435 ' SD ' HD12 ' A' ' 29' ' ' ILE . 9.7 ptm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.624 HD23 ' H ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.624 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -107.05 159.58 29.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 18.5 Cg_endo -74.95 152.98 41.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 18.4 Cg_endo -74.99 170.07 21.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 110.993 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.6 t -114.55 150.88 34.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.7 p -83.63 157.71 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.9 169.93 16.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.959 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 tp -121.98 170.93 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.9 p -133.49 167.4 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.78 175.34 9.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 73.3 p -142.04 178.44 7.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.0 p -153.21 172.46 16.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -141.54 153.12 23.88 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.561 1.163 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -177.14 3.25 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.07 165.51 35.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.5 p -115.53 168.22 10.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.62 142.65 13.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.559 ' CD1' ' CG2' ' A' ' 32' ' ' VAL . 19.2 m-85 -134.49 143.63 47.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -97.85 143.67 28.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HB1' ' HD2' ' A' ' 24' ' ' PHE . . . -80.96 121.46 26.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 60' ' ' GLU . 12.9 mt -75.53 -48.6 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -127.95 161.99 52.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 120.41 6.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -99.5 167.74 10.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -133.5 134.23 43.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.432 ' CB ' ' HB3' ' A' ' 21' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HB3' ' CB ' ' A' ' 16' ' ' ALA . 11.4 mt-10 -85.82 146.12 26.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.459 ' CG ' ' HB3' ' A' ' 50' ' ' ASN . 2.7 ttm -102.64 150.09 23.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.3 p -115.47 132.33 56.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.413 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 14.3 p90 -152.16 156.16 39.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -113.61 139.27 49.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.7 p -40.36 125.2 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.77 44.9 2.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 80.7 m-20 -141.48 120.22 12.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.8 mm -71.46 124.4 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.7 mt -112.07 134.59 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -92.44 93.34 8.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.329 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.559 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 46.2 t -74.91 125.27 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.5 79.0 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -47.13 -32.31 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -55.8 -60.36 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.8 m -50.84 124.33 10.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -114.42 162.55 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.58 -99.92 0.15 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.42 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 5.0 mm-40 -69.35 165.09 43.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.415 ' CD ' ' CD ' ' A' ' 39' ' ' GLU . 18.4 Cg_endo -75.02 -85.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.43 57.23 5.03 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.508 1.13 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.42 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 90.4 m95 -143.67 125.75 15.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.589 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 23.6 mt -109.12 116.93 32.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -83.95 116.0 22.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.03 158.67 16.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.3 p -117.89 115.65 25.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.79 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 28' ' ' ASP . 21.2 t80 -118.8 172.15 7.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' PHE . 2.4 mt-30 -35.16 110.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.52 36.39 0.1 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.459 ' HB3' ' CG ' ' A' ' 22' ' ' MET . 3.2 m-80 -138.92 119.43 13.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 0.733 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -137.2 114.2 10.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.63 -169.88 27.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -112.04 152.32 28.32 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.589 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 31.4 p90 -145.47 160.43 45.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 130.02 12.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' ' 43' ' ' LEU . 44.7 t -71.75 77.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -160.22 -45.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -86.5 43.35 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.426 ' N ' HD12 ' A' ' 11' ' ' LEU . 29.8 m -151.02 140.5 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.506 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -118.65 94.42 4.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.264 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -41.65 132.21 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.1 tt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.09 165.78 16.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 124.53 8.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 171.36 18.46 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.3 p -95.17 174.25 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.442 HG22 ' H ' ' A' ' 83' ' ' SER . 8.5 p -132.83 168.29 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 82' ' ' VAL . 71.2 p -160.49 161.75 32.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.47 177.97 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.75 171.35 18.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -135.11 164.25 28.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 38.7 m -149.04 125.26 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.7 p -96.14 174.95 6.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -154.06 154.07 25.26 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -171.94 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.7 p -145.63 166.59 25.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m -144.21 169.46 17.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 110.949 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.93 118.0 0.97 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.556 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 18.1 m-85 -125.52 166.6 16.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ttp85 -116.77 118.38 32.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.8 132.6 31.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 60' ' ' GLU . 15.1 mt -87.87 -44.54 10.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -143.15 156.42 61.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 101.77 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.596 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 2.3 t80 -104.67 138.86 40.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.519 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 4.1 tt0 -91.74 141.33 28.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.245 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.596 ' OE2' ' CZ ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -93.29 157.44 16.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.439 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 2.0 ttm -99.46 158.15 15.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 76.1 p -123.98 131.32 53.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -155.56 173.77 16.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -130.13 145.45 51.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -40.34 158.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.44 44.56 97.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.601 ' OD1' ' CE1' ' A' ' 47' ' ' PHE . 2.1 t0 -134.64 139.37 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.452 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 42.6 mm -86.49 116.31 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.4 mm -101.21 110.45 28.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -70.05 73.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.556 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 61.4 t -74.27 141.16 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -105.97 104.99 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.07 52.71 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.42 -51.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 m -51.27 128.58 22.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 p -106.29 146.08 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.23 -100.87 0.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.575 1.172 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 5.5 mm-40 -70.57 161.64 75.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 0.747 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -76.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.42 62.48 2.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.425 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 85.6 m95 -147.49 140.91 25.36 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 93.7 mt -119.12 119.44 34.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -92.82 126.77 38.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.37 -168.56 11.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.2 p -144.52 115.29 7.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CE1' ' OD1' ' A' ' 28' ' ' ASP . 45.6 t80 -120.67 172.32 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.496 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.48 111.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.84 33.18 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' GLN . 5.8 m-80 -137.08 113.56 10.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -135.8 109.4 7.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.97 -170.16 26.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -108.41 146.74 32.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.695 ' HE1' HG21 ' A' ' 59' ' ' VAL . 45.6 p90 -140.48 160.72 58.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.47 14.32 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.6 p -70.73 64.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 108.337 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -143.27 -47.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.613 ' O ' HG13 ' A' ' 59' ' ' VAL . 88.8 m-85 -86.48 43.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.695 HG21 ' HE1' ' A' ' 54' ' ' PHE . 19.5 m -158.7 137.13 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.484 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -113.53 123.47 50.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -69.83 106.29 3.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.3 ptp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 111.013 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 0.5 OUTLIER -111.18 143.85 29.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 78' ' ' LEU . 18.3 Cg_endo -74.98 155.5 43.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.7 9.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -160.81 119.77 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 30.8 m -125.97 177.86 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.58 170.99 14.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.77 151.51 22.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 p -157.74 163.99 37.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.66 174.95 9.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.7 t -173.05 136.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.7 t -128.35 173.65 10.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.68 116.94 0.75 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.534 1.147 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 177.62 8.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.6 p -137.8 171.47 14.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.7 p -145.6 171.04 15.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.555 1.16 . . . . 0.0 111.009 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.407 ' HB3' ' CE1' ' A' ' 8' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.01 94.15 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.517 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 27.2 m-85 -87.83 169.77 11.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.427 ' CB ' ' HG3' ' A' ' 62' ' ' MET . 44.8 ttp180 -128.48 114.65 17.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.9 119.67 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.782 HD11 ' HB2' ' A' ' 60' ' ' GLU . 31.4 mt -77.78 -46.21 22.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -127.29 154.19 77.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.3 2.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.451 ' HB2' ' CE2' ' A' ' 58' ' ' TYR . 6.0 t80 -114.92 124.94 52.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.53 157.42 16.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.934 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.78 156.98 20.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.5 ttp -91.44 151.65 20.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 p -124.99 133.18 53.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -162.85 158.64 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -115.66 150.23 37.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -50.77 159.84 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.55 26.65 74.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -133.56 121.36 22.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 mm -63.13 138.25 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mm -116.72 108.33 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -69.8 73.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.517 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 84.9 t -70.14 139.73 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.27 105.73 16.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -83.39 51.53 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -143.71 -47.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.519 HG21 ' CD2' ' A' ' 44' ' ' TYR . 53.6 m -63.59 132.52 51.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.9 t -118.93 148.09 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.424 ' HA3' ' CH2' ' A' ' 53' ' ' TRP . . . -166.76 -100.98 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.601 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -75.23 163.72 65.96 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -81.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.65 55.25 4.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.601 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 80.4 m95 -145.61 153.24 40.83 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.543 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 13.7 mt -132.86 123.99 27.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.519 ' CD2' HG21 ' A' ' 36' ' ' THR . 25.7 t80 -96.32 126.61 41.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.15 -175.57 14.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 m -133.71 115.31 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 0.0 109.988 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 33.7 t80 -119.58 172.42 7.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.467 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 3.8 mt-30 -35.04 108.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.86 33.42 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' GLN . 65.3 m-20 -136.86 114.24 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -135.09 109.84 8.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.26 -169.89 24.14 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.458 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 72.7 m95 -101.25 124.97 47.79 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 24.0 p90 -120.85 160.7 43.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.03 131.19 13.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.427 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.0 p -65.68 -22.88 66.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 108.308 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.411 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 7.2 p-10 -84.53 53.55 2.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.551 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 1.4 m-85 -159.96 -43.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 m -87.8 156.7 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.782 ' HB2' HD11 ' A' ' 11' ' ' LEU . 1.2 tt0 -124.4 130.2 52.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -69.82 115.25 8.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.427 ' HG3' ' CB ' ' A' ' 9' ' ' ARG . 2.0 mtm . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.28 128.21 93.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 152.52 40.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.808 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -166.11 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.7 t -138.77 141.62 38.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.411 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.7 t -134.51 139.51 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 m -123.07 163.69 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 tp -144.26 100.55 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.0 p -72.35 173.38 8.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.966 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.33 158.68 44.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.8 p -118.95 166.3 13.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.3 m -167.93 171.44 9.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.044 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.55 156.97 21.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -174.57 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.3 p -161.23 164.86 30.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.29 165.96 10.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.36 131.8 2.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.472 ' CD1' HG21 ' A' ' 32' ' ' VAL . 18.9 m-85 -133.13 143.8 49.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -99.24 136.45 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.09 120.12 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.416 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 33.2 mt -71.69 -55.86 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -125.71 158.39 65.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.3 12.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 3.2 t80 -139.61 140.57 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.477 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -102.47 143.17 32.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.417 ' CB ' ' HB3' ' A' ' 21' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HB3' ' CB ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -99.74 157.61 16.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.4 ttp -107.62 142.89 36.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.5 p -113.23 134.41 54.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -155.76 -179.74 8.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -135.91 147.54 48.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.0 p -52.96 134.19 37.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.23 35.58 5.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.532 ' HB3' ' CE1' ' A' ' 47' ' ' PHE . 17.6 m-20 -137.61 122.86 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.3 mm -73.59 120.01 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.7 mt -106.11 119.66 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -78.85 91.31 4.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.472 HG21 ' CD1' ' A' ' 8' ' ' TYR . 76.8 t -77.3 150.37 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -117.07 82.74 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -43.4 -45.76 6.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -42.54 -61.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.7 m -53.34 127.11 23.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 38' ' ' GLY . 13.0 p -127.63 161.61 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.409 ' N ' HG22 ' A' ' 37' ' ' VAL . . . 177.28 -99.56 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.51 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -68.15 165.04 36.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 110.258 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -78.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -86.87 59.02 4.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.51 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 81.8 m95 -153.42 125.41 7.87 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 15.1 mt -114.18 135.63 53.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.597 ' CD1' ' CD1' ' A' ' 53' ' ' TRP . 27.9 t80 -99.73 137.97 37.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.57 -179.56 28.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.1 m -129.48 115.9 18.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 28' ' ' ASP . 42.5 t80 -115.31 172.22 7.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.495 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.05 109.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.45 36.14 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.2 m-80 -140.13 119.87 13.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -134.57 109.89 8.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.76 -170.34 25.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.597 ' CD1' ' CD1' ' A' ' 44' ' ' TYR . 20.3 m95 -111.13 147.03 35.77 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 46.6 p90 -136.44 160.99 64.64 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 135.63 19.23 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.0 t -79.14 94.41 5.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 108.321 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 4.8 p-10 -178.93 -39.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -90.19 23.65 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.0 m -131.33 154.57 40.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -133.57 103.32 5.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -50.79 115.06 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.7 mtm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 111.051 -179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 mt -118.23 115.09 36.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 160.25 40.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.543 1.812 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -178.19 4.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.7 m -156.02 136.35 13.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.3 m -125.79 176.59 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.7 p -162.09 171.99 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 1.0 ' O ' HD13 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -174.55 146.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.5 ' N ' HD22 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -138.89 173.68 11.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -161.92 176.05 11.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.4 t -163.32 165.54 24.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 110.391 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.6 p -168.42 171.09 9.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.59 101.78 0.18 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.493 1.12 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -179.36 4.91 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.512 1.796 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.0 t -141.42 175.19 9.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.7 172.09 14.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.55 76.88 1.0 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.574 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 18.8 m-85 -83.99 166.51 17.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.418 ' HB3' ' CG ' ' A' ' 60' ' ' GLU . 5.3 ttp85 -118.4 129.24 55.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.4 120.68 16.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.746 HD11 ' HB3' ' A' ' 60' ' ' GLU . 14.0 mt -80.65 -46.15 16.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -127.96 155.16 78.12 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 103.15 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.787 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -85.81 164.93 17.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -137.17 115.26 11.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.08 . . . . 0.0 110.311 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.0 t0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.42 154.86 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.7 ttm -98.37 157.28 16.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.0 p -133.96 125.8 28.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -147.28 167.31 24.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -109.65 158.02 18.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.9 p -67.49 136.87 55.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.085 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.12 30.68 12.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.599 ' OD1' ' CE1' ' A' ' 47' ' ' PHE . 13.2 t70 -123.04 161.58 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.446 HD12 ' SD ' ' A' ' 62' ' ' MET . 43.8 mm -100.58 115.56 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mm -97.32 107.03 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -69.45 73.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.574 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 92.2 t -70.04 127.14 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.32 88.37 4.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.64 -19.23 9.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -58.16 -56.99 14.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.2 m -63.91 131.6 48.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.398 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.14 155.22 36.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.5 -103.24 0.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 42' ' ' TRP . 0.7 OUTLIER -50.44 161.43 0.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.267 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -85.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.037 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.22 59.42 4.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.466 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 64.4 m95 -143.81 152.49 41.27 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 20.9 mt -133.36 115.06 14.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -84.48 134.65 34.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.81 167.95 27.03 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -125.33 115.36 20.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.599 ' CE1' ' OD1' ' A' ' 28' ' ' ASP . 45.0 t80 -120.38 172.19 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.498 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.28 110.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.75 33.85 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.4 m-80 -135.53 113.49 11.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 0.791 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -136.96 109.23 7.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.71 -169.85 27.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -104.29 139.03 39.86 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.64 ' CE1' HG21 ' A' ' 59' ' ' VAL . 7.0 p90 -135.11 161.05 65.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.04 131.02 13.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.552 1.817 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.417 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . 25.2 p -64.92 -19.44 65.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.273 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.503 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 8.2 p30 -84.63 51.19 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 2.8 m-85 -159.46 -42.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.64 HG21 ' CE1' ' A' ' 54' ' ' PHE . 30.8 m -91.94 157.02 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.746 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -120.92 143.08 49.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -80.55 112.47 17.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.446 ' SD ' HD12 ' A' ' 29' ' ' ILE . 33.6 mtp . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mp -139.15 154.66 72.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -165.37 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 m -114.42 161.3 18.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.7 m -89.14 176.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.42 177.64 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 tp -151.48 100.52 2.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.37 166.73 12.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -146.3 169.04 19.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.3 p -146.12 -179.13 6.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 179.35 174.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.42 156.35 27.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -169.3 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.63 -58.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.958 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.11 161.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.143 . . . . 0.0 110.961 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.74 89.4 0.15 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.763 ' CD1' HG21 ' A' ' 32' ' ' VAL . 6.1 m-85 -80.63 143.8 32.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -108.44 122.28 46.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.445 ' HB1' ' CD1' ' A' ' 24' ' ' PHE . . . -68.67 123.9 22.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 33.0 mt -79.55 -51.63 9.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -120.66 160.7 43.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.0 11.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 39.1 t80 -126.29 156.31 40.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.592 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -126.19 148.97 49.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.485 ' OE2' ' CZ ' ' A' ' 14' ' ' PHE . 2.9 mt-10 -85.7 167.11 15.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.3 ttp -109.23 145.23 36.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 p -114.25 118.2 33.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.445 ' CD1' ' HB1' ' A' ' 10' ' ' ALA . 31.7 p90 -141.42 164.53 29.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -121.16 141.38 50.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 p -40.57 139.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.6 44.99 7.04 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -141.14 126.7 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.2 mm -79.72 125.32 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.1 mt -110.9 127.06 68.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -81.51 87.35 6.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.763 HG21 ' CD1' ' A' ' 8' ' ' TYR . 24.2 t -67.92 122.03 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.12 79.75 4.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -47.66 -30.39 3.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -54.58 -61.39 2.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.993 HG21 ' CD2' ' A' ' 44' ' ' TYR . 15.9 m -50.81 130.18 24.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.383 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 p -122.55 162.35 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.78 -99.22 0.14 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 6.5 mm-40 -69.36 162.15 68.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.784 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -79.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.65 60.28 3.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 89.6 m95 -147.39 121.87 9.73 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -94.37 146.78 23.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.993 ' CD2' HG21 ' A' ' 36' ' ' THR . 33.5 t80 -127.25 110.2 12.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.6 176.2 18.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.6 p -119.11 114.9 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.451 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 29.1 t80 -114.32 172.27 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.451 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.0 mt-30 -34.94 105.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 36.05 34.47 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 76.0 m-20 -141.12 123.42 15.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -139.62 117.69 11.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.73 -169.78 27.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -106.1 174.47 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.625 ' CE1' HG21 ' A' ' 59' ' ' VAL . 4.6 p90 -174.8 159.74 2.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' ASN . 18.3 Cg_endo -75.01 128.72 11.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.435 1.755 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 29.2 p -67.58 72.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 108.271 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' PRO . 62.4 t30 -153.04 -46.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.437 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 69.7 m-85 -73.31 -1.71 19.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.625 HG21 ' CE1' ' A' ' 54' ' ' PHE . 35.3 m -122.44 -178.19 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -160.16 102.49 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -45.45 130.38 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -113.74 130.5 23.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.56 18.07 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 132.51 15.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.3 t -163.14 153.39 16.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.6 p -154.4 135.48 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 m -123.71 154.66 39.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.84 168.68 18.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.62 165.03 33.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -128.38 172.92 10.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.2 t -161.39 163.98 30.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.68 173.16 10.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 110.046 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.21 152.6 23.91 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.61 2.97 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.52 162.96 6.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.2 158.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.9 137.53 6.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -124.15 140.22 53.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.6 ttp85 -96.57 126.19 41.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.61 120.75 13.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 mt -78.66 -49.11 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -125.66 156.01 71.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 18.4 Cg_endo -74.99 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.445 1.76 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.455 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 4.6 t80 -119.42 139.08 52.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.4 149.54 39.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.32 165.04 11.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.9 ttm -99.54 156.07 17.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 p -119.86 120.64 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -149.73 175.36 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.0 m-80 -126.12 162.4 25.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.2 p -62.29 134.31 56.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.31 46.93 5.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -139.35 123.4 17.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.743 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.5 mm -74.51 121.79 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.1 mt -107.21 112.9 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.05 87.32 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.2 t -74.56 144.08 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.96 95.71 5.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -37.21 62.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.25 -57.63 5.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.567 HG21 ' CD2' ' A' ' 44' ' ' TYR . 18.8 m -54.67 132.55 45.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.368 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.96 155.06 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.4 -103.57 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.421 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 6.6 mm-40 -57.44 163.96 3.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -82.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.514 1.797 . . . . 0.0 111.057 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.92 59.82 3.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.454 ' C ' HD22 ' A' ' 43' ' ' LEU . 93.4 m95 -148.35 119.82 7.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.601 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -97.33 162.3 13.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CD2' HG21 ' A' ' 36' ' ' THR . 38.6 t80 -133.75 114.55 13.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.01 174.98 20.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.444 1.09 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.0 m -117.29 114.95 24.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 110.023 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.5 ' CZ ' ' NE2' ' A' ' 48' ' ' GLN . 40.3 t80 -114.45 171.88 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.5 ' NE2' ' CZ ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -34.83 106.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 36.0 35.53 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 75.1 m-20 -142.39 120.73 12.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -136.36 110.88 8.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.73 -170.07 28.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 52.8 m95 -94.28 174.19 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 43' ' ' LEU . 4.3 p90 -173.53 159.11 3.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.03 126.02 9.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . 0.458 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 11.8 p -63.74 -16.75 61.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -75.06 -14.47 60.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.575 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 6.0 m-85 -102.26 28.27 6.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 58' ' ' TYR . 33.4 m -157.33 161.72 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.97 92.26 3.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -42.13 101.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.9 ptm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 79' ' ' PRO . 3.2 pp -68.46 154.14 94.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 18.3 Cg_endo -75.01 149.6 36.89 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -74.98 -175.59 2.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.782 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.2 m -121.22 136.61 54.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.9 m -109.48 173.53 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.6 p -148.1 176.17 10.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.59 161.37 13.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.5 p -168.37 164.48 12.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -174.0 142.51 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.2 p -107.53 -174.96 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.369 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 m -166.46 162.69 17.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.52 129.74 2.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -175.92 2.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.0 170.84 20.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.74 170.57 15.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 110.954 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.49 137.86 2.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.527 ' CD1' HG21 ' A' ' 32' ' ' VAL . 27.7 m-85 -140.35 146.23 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.3 ttp85 -102.07 142.11 33.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.62 109.11 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -61.7 -58.58 7.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -124.18 160.5 52.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 127.9 11.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.417 1.746 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.568 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -136.82 141.18 42.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.426 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 2.9 mt-10 -101.66 145.06 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.51 159.84 14.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.458 ' CE ' HD13 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -99.44 138.25 36.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 p -106.94 132.89 52.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -155.93 176.05 13.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -137.33 153.22 50.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.6 p -51.09 135.02 26.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.21 50.72 3.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 77.2 m-20 -148.66 117.53 6.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.7 mm -73.5 123.76 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.458 HD13 ' CE ' ' A' ' 22' ' ' MET . 17.5 mt -108.71 150.18 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -104.27 98.16 8.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' A' ' 8' ' ' TYR . 55.1 t -84.21 139.88 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.56 92.92 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.42 -32.6 50.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -51.13 71.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.666 HG21 ' CD2' ' A' ' 44' ' ' TYR . 32.4 m -50.81 145.59 6.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.379 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.653 HG23 ' HH2' ' A' ' 53' ' ' TRP . 35.3 m -57.49 166.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.86 132.33 1.59 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.1 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 168.76 0.45 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.08 8.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.769 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.17 16.97 5.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -131.88 154.79 48.84 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.511 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 30.2 mt -138.96 125.36 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.666 ' CD2' HG21 ' A' ' 36' ' ' THR . 50.5 t80 -103.99 144.38 31.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.36 171.1 32.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -129.34 118.35 22.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' GLN . 22.5 t80 -118.0 172.2 7.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' PHE . 2.3 mt-30 -35.16 110.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.67 37.05 0.13 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.443 1.089 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -143.16 112.82 6.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -135.31 113.35 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.441 ' CA ' ' HB2' ' A' ' 22' ' ' MET . . . -157.97 -170.6 22.91 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.653 ' HH2' HG23 ' A' ' 37' ' ' VAL . 36.3 m95 -107.04 149.41 27.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 48.7 p90 -145.67 159.95 45.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.2 23.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 29.2 p -75.67 69.41 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -151.7 -46.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.347 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.482 ' O ' HG13 ' A' ' 59' ' ' VAL . 78.8 m-85 -85.24 45.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 58' ' ' TYR . 30.0 m -155.4 165.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.07 117.77 7.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -52.2 121.31 6.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.6 mmm . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 tt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -139.47 154.45 71.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 163.1 35.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.45 11.23 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.2 p -127.0 176.86 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.443 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.85 176.33 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.246 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 m -134.57 169.59 17.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.62 ' C ' HD23 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -123.13 154.37 38.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.418 ' N ' HD23 ' A' ' 84' ' ' LEU . 92.2 p -178.15 151.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.038 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -175.94 157.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.0 t -172.98 153.61 2.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.07 168.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.29 126.81 2.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.553 1.158 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.45 5.01 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.91 135.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.17 170.45 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -172.31 160.24 4.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 110.008 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.4 p 45.99 91.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.19 94.51 1.25 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m 56.76 163.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.761 . . . . 0.0 109.981 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.491 ' HG ' ' HD1' ' A' ' 8' ' ' TYR . 89.4 p -118.59 -61.0 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.8 108.01 2.13 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 111.008 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.491 ' HD1' ' HG ' ' A' ' 6' ' ' SER . 41.8 m-85 -135.71 155.71 49.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 0.762 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 ttm180 -121.17 116.51 25.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.5 116.26 4.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.35 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.878 HD12 ' O ' ' A' ' 58' ' ' TYR . 3.4 mt -65.27 -61.22 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -115.55 156.61 45.83 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 18.3 Cg_endo -75.01 113.66 3.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.474 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 9.9 t80 -110.7 144.76 39.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 4.8 tt0 -110.08 139.22 45.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.78 89.75 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.7 mtt-85 -102.15 45.69 0.96 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -147.53 -161.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -78.59 -75.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.575 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.7 56.7 0.67 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -97.6 163.8 12.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -99.69 162.32 13.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 p -136.13 122.95 21.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.047 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -157.5 162.83 38.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 71.3 m-80 -111.3 170.57 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.9 p -70.51 147.29 49.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.952 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.9 21.37 61.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.136 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -122.2 122.05 38.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 0.778 . . . . 0.0 109.291 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.9 mm -61.62 139.33 20.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.3 mm -118.87 105.1 16.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -68.48 74.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.466 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 99.5 t -71.0 132.52 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -91.32 101.44 14.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.98 54.24 1.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 110.339 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.481 ' O ' HG23 ' A' ' 37' ' ' VAL . 23.5 mtmt -148.43 -48.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.9 m -56.84 129.31 40.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 35' ' ' LYS . 59.0 t -119.31 149.15 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -174.64 -100.64 0.14 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 5.7 mm-40 -63.11 164.77 12.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -87.91 59.97 4.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.407 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 83.1 m95 -141.29 151.97 44.1 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 17.4 mt -127.9 130.4 48.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.508 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 38.2 t80 -107.7 134.32 50.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.04 -177.72 19.17 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -138.0 116.16 11.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.976 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.458 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 31.6 t80 -121.36 172.25 8.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 3.7 mt-30 -35.13 110.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.01 34.79 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 69.6 m-20 -139.02 110.73 7.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -136.26 116.89 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.96 -170.87 28.46 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.565 1.165 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.508 ' CE3' ' HB2' ' A' ' 44' ' ' TYR . 67.4 m95 -107.82 124.99 50.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 43' ' ' LEU . 42.8 p90 -119.21 160.79 39.91 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.467 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -74.98 134.29 17.67 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.415 ' HA ' HD12 ' A' ' 43' ' ' LEU . 26.7 p -70.45 94.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 108.291 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.3 t30 173.69 -60.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.235 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.878 ' O ' HD12 ' A' ' 11' ' ' LEU . 15.1 m-85 -44.72 -39.35 5.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.6 m -89.09 153.01 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.732 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -131.97 116.05 16.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.347 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -48.69 126.86 12.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -98.58 161.41 25.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 157.1 42.99 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.85 59.63 2.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.15 64.3 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.041 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 41.6 73.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 m120 60.64 153.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -128.63 152.58 48.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -89.83 106.2 18.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.89 110.24 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.4 p -106.2 141.23 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.6 m -114.1 93.05 28.74 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.018 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 94.25 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -50.78 159.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -84.72 142.18 30.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -122.66 149.13 44.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.152 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 pp -95.45 148.03 22.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 78' ' ' LEU . 2.2 pt? -112.71 156.14 42.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 162.44 37.14 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -178.18 3.98 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 110.996 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.0 t -123.97 161.56 25.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 95.0 t -131.62 137.33 55.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.53 166.71 11.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 85' ' ' SER . 2.4 tt -137.52 156.59 47.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.42 ' N ' HD23 ' A' ' 84' ' ' LEU . 53.2 p -63.88 169.68 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -147.75 -177.57 5.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.664 HG23 ' N ' ' A' ' 88' ' ' SER . 0.6 OUTLIER 45.67 -171.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 110.389 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.664 ' N ' HG23 ' A' ' 87' ' ' THR . 34.2 p -177.68 175.5 1.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.31 100.39 1.35 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -179.05 4.62 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.479 1.779 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.0 p -135.34 174.38 10.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.038 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.8 t -150.29 75.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.029 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.8 p -130.05 170.91 13.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 110.038 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -124.92 -57.55 1.52 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.55 -169.98 11.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.55 7.72 8.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 0.768 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.18 -66.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.11 133.59 6.97 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.489 ' CD1' HG21 ' A' ' 32' ' ' VAL . 28.1 m-85 -138.06 145.26 41.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 0.749 . . . . 0.0 110.962 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -101.9 126.81 48.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.97 128.1 34.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.413 HD21 ' HB3' ' A' ' 60' ' ' GLU . 18.5 mt -79.04 -52.32 8.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -121.42 160.18 47.07 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 103.88 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . 64.0 t80 -105.43 136.28 45.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -104.58 151.16 23.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.262 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.436 ' HB2' ' C ' ' A' ' 22' ' ' MET . . . -102.76 103.01 13.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 mtp85 -146.33 35.24 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.522 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 1.2 t-20 -121.44 -65.07 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 18' ' ' ASN . 2.0 m170 178.13 126.58 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 40.93 50.64 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 40.1 mt-10 -112.15 153.0 27.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.436 ' C ' ' HB2' ' A' ' 16' ' ' ALA . 2.6 ttm -98.22 155.73 17.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.94 114.86 21.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 14' ' ' PHE . 21.6 p90 -138.58 169.15 18.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -122.89 144.47 49.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.7 p -48.89 137.32 12.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.02 42.1 6.43 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.56 ' HB3' ' CE1' ' A' ' 47' ' ' PHE . 73.1 m-20 -139.89 123.97 17.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.424 HD12 ' SD ' ' A' ' 62' ' ' MET . 28.6 mm -71.23 124.92 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.7 mt -112.08 125.95 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -82.1 93.38 7.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.489 HG21 ' CD1' ' A' ' 8' ' ' TYR . 54.1 t -78.96 139.72 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.43 75.28 0.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -41.73 -40.45 2.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.322 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -49.09 -58.26 5.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.45 HG21 ' CD2' ' A' ' 44' ' ' TYR . 51.8 m -50.85 124.23 10.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 p -116.13 160.42 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.95 -103.56 0.19 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.21 163.4 3.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 110.281 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -82.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.517 1.798 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.464 ' C ' ' CD1' ' A' ' 42' ' ' TRP . . . -92.02 62.17 2.57 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.464 ' CD1' ' C ' ' A' ' 41' ' ' GLY . 31.5 m95 -147.26 137.42 23.23 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 15.0 mt -115.91 121.86 43.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.45 ' CD2' HG21 ' A' ' 36' ' ' THR . 18.3 t80 -87.71 127.43 35.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.44 167.76 24.89 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 92.0 p -123.14 115.68 22.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.769 . . . . 0.0 110.01 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.56 ' CE1' ' HB3' ' A' ' 28' ' ' ASP . 33.6 t80 -113.49 172.25 7.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.465 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.14 109.53 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.34 34.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' GLN . 73.8 m-20 -139.84 118.13 12.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.7 OUTLIER -135.52 117.4 15.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.958 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.48 -169.96 26.61 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 56.8 m95 -107.69 149.75 27.76 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 26.5 p90 -149.07 160.54 34.78 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.78 38.67 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.4 p -90.82 44.61 1.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 108.325 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -137.27 14.33 3.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -135.76 9.09 3.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.1 m -127.49 158.74 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.413 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -128.77 121.79 29.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.477 ' HG3' ' CE2' ' A' ' 8' ' ' TYR . 11.1 tttt -60.39 97.91 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.424 ' SD ' HD12 ' A' ' 29' ' ' ILE . 24.3 ptm -65.18 158.26 72.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 101.2 1.44 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.554 1.818 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.6 m -133.2 -45.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 57.2 p -127.69 95.75 4.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.063 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.12 -44.95 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -95.81 127.16 41.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -160.79 148.38 15.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -81.55 142.03 33.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -179.04 103.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.0 p -71.62 159.24 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 71.8 p -108.54 150.11 40.25 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 80.08 2.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.766 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.11 108.39 10.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -137.39 174.9 10.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.96 151.89 49.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.64 130.15 21.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.16 149.07 39.59 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 173.27 14.8 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.453 1.765 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.9 t -115.52 124.81 51.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 p -94.59 146.89 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.1 p -115.75 169.15 9.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.22 162.55 13.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.2 m -141.92 164.62 29.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.7 172.79 7.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.7 t -156.36 152.75 27.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.398 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 p -129.19 174.96 9.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -151.48 105.2 0.28 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -179.41 4.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 45.1 p -151.12 174.24 13.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.49 169.21 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.984 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.447 1.092 . . . . 0.0 111.0 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -108.95 -57.76 2.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.765 . . . . 0.0 109.944 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 p -148.25 105.31 3.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.997 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.45 58.49 0.16 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 p -110.69 -172.02 1.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 0.802 . . . . 0.0 109.967 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.68 -59.93 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.13 124.67 3.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.67 ' CD1' HG21 ' A' ' 32' ' ' VAL . 8.5 m-85 -123.43 144.57 49.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 0.766 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.626 ' NE ' HD11 ' A' ' 29' ' ' ILE . 8.1 ttm180 -107.79 125.43 51.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.62 118.82 8.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.6 mt -72.09 -42.81 65.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -128.79 157.54 75.12 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 101.03 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.531 1.806 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.521 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 1.6 t80 -107.8 149.47 28.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.427 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 3.5 tt0 -130.09 126.48 37.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.45 109.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.99 -35.61 66.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -175.71 173.93 2.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.4 ' CG ' ' H ' ' A' ' 20' ' ' ASP . 4.1 t-160 71.63 -158.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.602 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.4 ' H ' ' CG ' ' A' ' 19' ' ' HIS . 6.7 t0 -91.66 48.96 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -86.1 153.56 22.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.0 ttp -105.29 147.36 28.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.6 p -112.87 142.11 45.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 14' ' ' PHE . 6.5 p90 -164.23 170.12 16.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -119.22 158.24 26.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.0 p -60.78 140.14 57.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.947 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.68 9.22 60.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.112 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.601 ' CG ' ' CE1' ' A' ' 47' ' ' PHE . 1.1 t0 -97.21 135.38 39.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.626 HD11 ' NE ' ' A' ' 9' ' ' ARG . 36.6 mm -98.74 93.97 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.4 mt -78.75 143.68 12.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 29' ' ' ILE . 8.0 mp0 -99.63 89.36 4.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.67 HG21 ' CD1' ' A' ' 8' ' ' TYR . 73.9 t -74.34 120.59 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -93.91 76.28 4.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -41.37 -29.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -54.91 -53.64 52.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.2 m -50.97 130.32 25.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.439 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 p -90.3 156.66 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.84 -167.17 40.3 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.459 1.099 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -48.04 157.63 0.62 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 110.266 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -52.03 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.592 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -86.2 45.82 3.52 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 60.2 m95 -155.0 134.77 12.81 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.59 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 25.8 mt -123.76 120.79 33.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.546 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 18.5 t80 -83.89 133.89 34.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.08 161.42 27.58 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 81.0 p -120.57 116.61 25.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.739 . . . . 0.0 110.041 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CE1' ' CG ' ' A' ' 28' ' ' ASP . 46.6 t80 -128.32 172.12 11.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.507 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 3.6 mt-30 -35.17 110.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.8 33.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' GLN . 15.2 m-80 -133.36 112.7 11.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -139.27 107.6 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.74 -169.8 27.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.546 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 67.7 m95 -109.99 133.05 53.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.985 -1.116 . . . . 0.0 107.985 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 35.1 p90 -123.79 160.77 49.96 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 57' ' ' ASN . 18.4 Cg_endo -74.98 133.24 16.38 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.499 1.789 . . . . 0.0 111.059 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 28.0 p -69.56 68.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 55' ' ' PRO . 8.6 m-20 -150.55 -48.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.512 ' O ' HG13 ' A' ' 59' ' ' VAL . 84.9 m-85 -85.5 46.41 1.3 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 58' ' ' TYR . 18.9 m -155.7 164.63 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -139.86 95.66 2.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.09 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 8' ' ' TYR . 12.0 tttm -47.11 107.78 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.071 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.7 mtp -83.98 160.55 57.69 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.971 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -166.41 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.58 81.07 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.2 m -156.29 87.12 1.03 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.001 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 60.26 86.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -151.15 154.86 37.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -174.78 139.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -56.07 117.83 4.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -150.95 62.95 0.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.5 p -103.14 158.81 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 m -110.89 101.5 49.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.014 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.71 15.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.49 101.97 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.45 157.78 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -103.39 156.59 17.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -166.43 160.69 15.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.8 mp -135.97 157.05 76.65 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.94 43.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.32 20.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.552 1.817 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t -166.27 119.94 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.378 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.501 HG22 ' H ' ' A' ' 83' ' ' SER . 11.7 p -173.33 170.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.501 ' H ' HG22 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -177.22 127.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.952 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.0 tp -159.09 119.87 3.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.92 148.45 49.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.996 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.25 170.11 15.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.2 t -171.12 146.74 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.391 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.9 p -162.64 156.44 20.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 177.85 96.44 0.1 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 179.23 6.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 69.8 m -143.69 171.89 13.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.72 170.88 21.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -134.86 93.99 3.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.99 167.88 12.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.999 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.32 -78.2 0.12 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.477 1.111 . . . . 0.0 110.988 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 p -159.42 161.28 35.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 110.025 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -152.04 167.08 29.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.83 152.14 18.86 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.608 ' CD1' HG21 ' A' ' 32' ' ' VAL . 30.4 m-85 -139.74 145.67 38.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -104.73 128.64 52.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.96 129.41 38.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.605 HD11 ' HB3' ' A' ' 60' ' ' GLU . 49.1 mt -81.79 -50.62 9.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -121.04 158.91 51.34 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 121.37 6.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.559 ' CE2' ' O ' ' A' ' 15' ' ' GLU . 83.1 t80 -113.64 148.36 36.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.559 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -104.52 157.82 16.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -114.28 117.8 32.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -68.82 -32.27 71.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -148.51 167.82 24.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -49.32 -41.26 38.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.61 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.08 -30.54 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.03 147.75 23.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.464 ' HB2' ' CA ' ' A' ' 52' ' ' GLY . 13.0 ttp -101.98 143.51 31.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.3 p -114.18 124.81 52.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 14' ' ' PHE . 19.1 p90 -143.75 168.66 19.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -126.45 137.1 53.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 61.3 p -40.23 129.97 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.11 46.85 2.99 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 53.3 m-20 -145.44 126.64 14.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 0.8 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.403 HD12 ' SD ' ' A' ' 62' ' ' MET . 50.2 mm -75.04 127.49 36.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.2 mt -115.48 129.83 71.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.43 93.36 9.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.608 HG21 ' CD1' ' A' ' 8' ' ' TYR . 38.8 t -75.0 110.34 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -77.08 83.28 3.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -47.15 -43.42 20.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -49.21 -56.77 8.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.5 m -61.7 125.86 25.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.2 t -136.01 155.21 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.87 -100.08 0.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.521 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 1.3 mm-40 -60.43 163.92 7.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 110.269 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -81.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.533 1.807 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.8 55.47 4.74 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.521 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 83.0 m95 -145.77 146.08 31.07 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 23.3 mt -128.23 132.34 48.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.497 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 8.0 t80 -100.58 141.48 33.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -155.88 155.82 26.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 m -114.33 115.09 26.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 0.793 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 28' ' ' ASP . 27.0 t80 -114.17 172.22 7.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 111.037 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' PHE . 2.3 mt-30 -34.99 110.14 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.306 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.33 36.73 0.1 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.451 1.094 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -140.02 120.14 13.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -136.17 110.24 8.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 111.002 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.464 ' CA ' ' HB2' ' A' ' 22' ' ' MET . . . -155.48 -172.27 22.89 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.112 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.497 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 62.1 m95 -111.08 131.37 55.13 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 53.9 p90 -121.03 161.76 38.8 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -75.01 143.79 29.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.034 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 27.8 p -86.17 57.26 4.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 108.324 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 55' ' ' PRO . 17.5 p30 -167.02 31.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 1.6 m-85 -135.09 -42.07 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 15.4 m -77.52 171.14 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.605 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -134.63 100.19 4.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -40.52 101.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.403 ' SD ' HD12 ' A' ' 29' ' ' ILE . 27.2 ptm -65.82 158.61 74.35 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 145.01 30.91 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.441 1.759 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.2 m -107.71 105.78 15.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.85 78.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.971 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -137.21 118.84 14.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.45 1.094 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -124.37 136.11 53.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -103.46 98.6 8.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -157.33 125.83 5.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.53 86.05 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 97.3 t -136.01 136.97 49.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 96.0 p -115.81 153.95 48.12 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 129.61 12.44 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt 60.11 111.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.4 mtpt -75.57 108.97 8.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.73 126.72 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 pp -78.74 145.02 34.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.9 mp -100.33 149.82 36.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 169.33 22.84 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.48 1.779 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 162.14 37.73 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.431 1.753 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 13.4 t -142.14 151.21 42.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 110.402 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.7 m -142.03 175.16 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 81.3 p -163.33 168.5 20.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.939 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.39 172.74 16.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.16 166.35 31.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.47 142.43 23.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.8 p -105.45 178.94 4.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.39 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.5 p -162.15 146.6 12.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 110.041 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -119.1 150.53 17.89 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -174.3 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.545 1.813 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.64 164.62 29.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 51.4 p -115.18 167.71 10.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m 61.26 121.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.589 0.817 . . . . 0.0 110.059 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.2 t -163.67 -61.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.1 -88.04 0.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.531 1.144 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 p 58.11 169.4 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 0.74 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -119.85 -51.42 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.42 139.92 1.59 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.592 ' CD1' HG21 ' A' ' 32' ' ' VAL . 35.5 m-85 -143.2 144.39 32.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 0.745 . . . . 0.0 111.0 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -102.35 128.71 48.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.408 ' CB ' ' CD1' ' A' ' 24' ' ' PHE . . . -61.92 116.08 4.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 60' ' ' GLU . 26.2 mt -67.04 -50.83 60.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -126.03 160.94 54.44 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 113.57 3.82 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.479 1.778 . . . . 0.0 111.032 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 6.8 t80 -124.95 131.37 53.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -99.41 140.22 33.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.45 114.63 0.92 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.82 -46.12 14.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -88.81 -165.64 1.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -92.34 -33.25 14.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.585 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.84 37.91 1.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -106.85 177.43 4.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.37 160.68 20.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m -131.7 123.0 26.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.408 ' CD1' ' CB ' ' A' ' 10' ' ' ALA . 16.0 p90 -151.91 164.46 37.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -114.33 146.51 40.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.1 p -45.23 138.24 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.73 -30.69 9.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.79 127.33 31.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 29' ' ' ILE . 43.4 mm -82.81 121.42 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.1 mt -106.23 142.98 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.348 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -103.97 93.09 4.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.592 HG21 ' CD1' ' A' ' 8' ' ' TYR . 73.9 t -73.51 152.09 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -119.7 76.9 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -39.11 -36.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.326 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.55 -63.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.6 m -53.02 125.82 18.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.43 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.7 p -128.15 160.94 37.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.52 -100.76 0.15 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.531 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 0.5 OUTLIER -58.35 164.7 3.47 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.463 0.743 . . . . 0.0 110.29 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -87.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.46 1.768 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.38 57.15 5.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.531 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 81.1 m95 -144.72 137.33 26.46 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 42.2 mt -121.91 125.81 47.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -89.1 134.04 34.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.79 160.33 28.28 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 p -113.42 138.09 50.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 0.0 109.945 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' GLN . 24.3 t80 -145.49 172.23 13.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 111.044 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' ASN . 3.7 mt-30 -35.19 107.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 34.59 35.58 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 48' ' ' GLN . 73.3 m-20 -138.03 111.48 8.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -134.48 111.27 9.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.17 -170.0 25.21 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 25.4 m95 -110.72 143.53 41.08 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 35.1 p90 -134.94 161.27 64.71 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 110.965 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.414 ' O ' ' N ' ' A' ' 57' ' ' ASN . 18.3 Cg_endo -75.02 128.08 11.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.526 1.803 . . . . 0.0 110.973 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.3 p -65.34 81.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 108.302 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 55' ' ' PRO . 46.3 t30 -165.77 -43.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.639 ' O ' HG13 ' A' ' 59' ' ' VAL . 93.0 m-85 -87.33 45.53 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 58' ' ' TYR . 15.3 m -158.42 158.62 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.429 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.7 OUTLIER -135.38 130.65 35.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -66.21 99.12 0.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 20.4 ptm -68.71 158.05 86.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 143.58 29.19 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.556 1.819 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 t -132.84 88.34 2.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.981 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.0 t 65.16 142.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.955 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.51 79.03 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -75.8 144.67 41.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 61.7 120.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.41 141.43 19.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.62 122.57 43.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 74.2 t -71.18 136.84 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.8 109.47 1.73 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 175.74 10.82 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.51 133.15 12.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.02 168.01 16.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.68 148.22 27.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -174.72 126.42 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 41.4 mt -110.03 100.56 44.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 154.82 43.17 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.477 1.777 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.42 12.81 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.54 1.811 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.4 t -144.46 152.77 41.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.352 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 83' ' ' SER . 8.0 p -165.94 166.58 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.403 ' N ' HG22 ' A' ' 82' ' ' VAL . 0.1 OUTLIER -170.84 150.97 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.442 HD13 ' H ' ' A' ' 85' ' ' SER . 0.1 OUTLIER -163.77 138.41 5.99 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.442 ' H ' HD13 ' A' ' 84' ' ' LEU . 85.9 p -151.94 164.64 36.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -167.6 147.67 5.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 39.9 m -152.51 133.74 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.41 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.59 148.49 27.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -179.84 99.24 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 178.14 7.65 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.7 173.15 11.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.005 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.9 t -134.84 -57.04 0.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.4 p -70.91 134.34 47.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t -98.04 140.62 32.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.993 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.62 142.56 38.82 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 p -172.68 172.1 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 0.784 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 m -134.61 160.79 37.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.44 141.57 13.1 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.492 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 18.7 m-85 -133.98 144.77 48.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 0.799 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.04 122.51 41.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.62 116.69 5.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 60' ' ' GLU . 7.3 mt -62.32 -62.37 1.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -115.0 159.48 37.49 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 120.87 6.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.477 1.778 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.516 ' CD1' ' N ' ' A' ' 15' ' ' GLU . 24.0 t80 -124.1 156.98 35.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.516 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -133.43 143.06 48.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.48 94.72 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' O ' ' ND2' ' A' ' 18' ' ' ASN . 0.0 OUTLIER -48.08 -54.89 11.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER 163.55 88.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.297 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.533 ' O ' ' CG ' ' A' ' 19' ' ' HIS . 11.2 t60 173.26 64.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.586 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' HIS . 1.0 OUTLIER 40.56 29.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 19' ' ' HIS . 1.0 OUTLIER -85.83 167.75 14.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.1 ttm -102.8 161.1 14.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.8 p -130.49 123.9 30.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.4 p90 -153.63 168.72 25.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -124.63 145.85 49.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.3 p -48.15 141.45 6.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.47 40.58 8.31 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.476 1.11 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -140.24 129.67 24.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.467 HD12 ' SD ' ' A' ' 62' ' ' MET . 29.8 mm -74.77 123.53 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.5 mt -111.14 121.69 64.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.3 mm-40 -79.69 92.61 5.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 110.247 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.492 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 26.6 t -78.39 148.01 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -112.99 105.05 13.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -81.12 -18.81 45.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.86 18.16 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.547 HG21 ' CD2' ' A' ' 44' ' ' TYR . 20.0 m -114.75 131.85 56.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.387 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 38' ' ' GLY . 3.7 p -108.28 160.63 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.422 ' N ' HG22 ' A' ' 37' ' ' VAL . . . 167.61 -100.78 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.424 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 6.8 mm-40 -80.49 164.61 50.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -85.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.92 58.02 4.99 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.505 1.128 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.424 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 81.5 m95 -140.13 149.3 42.86 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.554 ' O ' ' CE1' ' A' ' 54' ' ' PHE . 88.3 mt -123.6 127.82 48.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.57 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 12.1 t80 -99.25 139.89 34.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.5 166.39 31.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.4 m -121.26 115.23 22.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 110.022 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' OE1' ' A' ' 48' ' ' GLN . 30.1 t80 -119.01 167.27 11.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.596 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.0 mp0 -35.4 112.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.282 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.32 34.22 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 74.1 m-20 -141.67 110.67 6.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.789 . . . . 0.0 109.343 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -135.17 115.39 13.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.73 -170.6 28.86 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 52.6 m95 -107.14 128.98 54.88 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.554 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 40.1 p90 -119.22 160.23 42.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.81 12.65 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.529 1.805 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 22.1 p -67.06 88.47 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 108.266 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -174.86 -41.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.585 ' O ' HG13 ' A' ' 59' ' ' VAL . 95.5 m-85 -87.87 41.52 1.0 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 58' ' ' TYR . 12.6 m -156.84 131.83 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.537 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -114.7 110.98 20.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.359 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -50.16 100.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.467 ' SD ' HD12 ' A' ' 29' ' ' ILE . 24.5 ptm -64.05 158.87 60.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 65' ' ' SER . 18.2 Cg_endo -75.0 -164.13 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' SER . 25.6 t 63.68 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 63' ' ' PRO . 91.0 p -39.5 115.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -165.64 177.68 7.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -126.67 126.67 43.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 65.9 151.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.62 142.61 8.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -97.03 108.37 21.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.49 HG13 ' HD3' ' A' ' 73' ' ' PRO . 7.7 p -74.63 161.06 5.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 53.7 m -131.03 81.43 66.76 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.49 ' HD3' HG13 ' A' ' 71' ' ' VAL . 18.1 Cg_endo -75.08 -167.11 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.536 1.808 . . . . 0.0 110.997 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt 62.62 157.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -169.14 171.67 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -98.04 168.77 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.94 125.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.83 142.4 37.75 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 18.3 Cg_endo -75.02 154.68 42.55 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -75.01 177.14 9.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 p -132.6 157.49 44.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.383 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 p -119.94 150.05 22.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.75 156.05 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.05 176.4 12.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 t -177.45 173.63 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -119.22 162.64 18.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 55.1 m -157.52 124.47 5.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.376 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.05 172.88 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -160.21 156.96 28.28 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.12 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.05 2.17 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 84.1 p -140.08 170.73 15.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.0 p -106.66 167.28 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.986 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 p -74.29 155.89 37.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 0.736 . . . . 0.0 110.01 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.28 74.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 110.0 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.47 96.93 0.19 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 0.0 111.057 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.4 178.46 7.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.8 -55.22 1.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.69 126.87 1.29 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.772 ' CD1' HG21 ' A' ' 32' ' ' VAL . 16.8 m-85 -134.27 145.52 49.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -95.75 148.87 22.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.536 ' HB1' ' CD1' ' A' ' 24' ' ' PHE . . . -88.61 119.19 28.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 60' ' ' GLU . 37.9 mt -70.55 -54.91 10.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -119.95 157.49 52.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 111.44 3.33 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . 7.9 t80 -121.25 122.62 40.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.3 146.49 24.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.465 ' HB2' ' C ' ' A' ' 22' ' ' MET . . . -53.93 114.48 1.6 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -90.9 39.63 0.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.4 t30 66.1 172.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 78.2 57.13 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.619 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 46.86 48.33 15.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -100.05 171.15 8.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.465 ' C ' ' HB2' ' A' ' 16' ' ' ALA . 1.0 OUTLIER -121.32 176.2 5.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.952 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.1 m -131.3 131.59 43.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.962 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.536 ' CD1' ' HB1' ' A' ' 10' ' ' ALA . 28.0 p90 -155.55 145.83 21.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -104.09 158.2 16.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.092 . . . . 0.0 109.264 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 85.6 p -60.34 128.71 38.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.68 38.55 4.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -134.34 125.73 28.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 29' ' ' ILE . 35.3 mm -72.87 119.62 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.413 HD11 ' CG ' ' A' ' 24' ' ' PHE . 8.1 mt -104.47 127.97 58.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -83.25 87.41 6.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.772 HG21 ' CD1' ' A' ' 8' ' ' TYR . 53.3 t -68.86 157.68 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.13 92.84 3.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.93 -15.1 27.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -79.17 -66.42 0.87 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.0 m -70.66 126.5 29.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.5 p -144.33 151.52 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.23 -98.82 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.43 1.081 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.5 160.04 83.73 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -14.22 21.21 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.496 1.787 . . . . 0.0 111.02 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.505 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -125.47 46.3 1.1 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.505 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 66.0 m95 -153.01 159.55 42.91 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 54' ' ' PHE . 78.0 mt -142.92 136.11 28.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 5.6 t80 -105.3 139.7 39.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -153.84 -176.3 26.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.2 m -136.53 115.55 12.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 48' ' ' GLN . 24.4 t80 -115.72 172.24 7.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ASN . 3.6 mt-30 -35.13 109.73 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 34.93 34.82 0.05 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.557 1.161 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' GLN . 77.3 m-20 -140.55 114.38 8.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -134.01 114.6 13.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 111.063 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.84 -173.44 30.5 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.533 1.146 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.404 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 53.2 m95 -105.15 132.68 51.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 43' ' ' LEU . 35.4 p90 -123.35 161.04 47.6 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.505 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.03 132.15 15.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.499 1.789 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.5 p -71.74 94.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 108.285 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 170.29 -47.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.505 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 10.0 m-85 -60.08 -19.87 55.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 27.3 m -101.91 165.98 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.551 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.2 OUTLIER -139.5 115.15 10.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.325 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -53.79 109.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.2 ptp -58.48 159.23 12.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 111.035 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 147.45 34.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.4 89.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.92 111.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.34 -30.74 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 175.77 165.46 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.41 131.26 34.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 67.14 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -96.91 117.41 31.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.2 p -77.7 131.48 34.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.6 m -145.5 93.83 5.27 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 135.39 18.96 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.456 1.766 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 ptmt -140.29 164.92 28.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.94 149.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -175.54 170.0 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 tp 66.05 156.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.5 142.7 45.66 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 154.56 42.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.539 1.81 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 174.62 12.48 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.523 1.801 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.7 p -109.87 168.02 9.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.3 m -112.8 154.88 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.72 169.55 16.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.67 166.63 11.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.9 p -117.28 167.43 11.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.67 175.68 6.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 12.6 t -143.9 150.23 38.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.0 p -111.94 172.19 7.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -122.3 154.83 16.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -177.55 3.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.43 170.45 22.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 78.6 p -119.91 161.92 20.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.55 109.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 109.998 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t 45.34 75.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.43 100.96 0.14 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -100.01 176.85 5.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.017 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 m -125.21 -58.98 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.02 119.27 1.05 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.504 1.128 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.475 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 12.4 m-85 -126.29 143.68 51.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -101.83 138.14 39.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' HB1' ' CD1' ' A' ' 24' ' ' PHE . . . -76.25 120.78 22.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 60' ' ' GLU . 25.7 mt -70.2 -55.07 10.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -122.95 160.16 50.65 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.62 4.07 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.508 1.793 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.59 ' CE2' ' O ' ' A' ' 15' ' ' GLU . 81.5 t80 -115.13 148.02 39.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.59 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -107.23 156.94 18.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.315 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.62 163.48 12.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -96.28 9.5 40.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 59.72 83.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 179.05 -76.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.6 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.62 22.87 3.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -117.6 157.11 26.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.3 ttp -114.86 151.73 33.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.984 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.44 131.88 56.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.401 ' CD1' ' HB1' ' A' ' 10' ' ' ALA . 13.6 p90 -151.16 173.15 14.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -126.09 147.77 49.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 109.343 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.6 p -52.71 132.36 36.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.008 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.18 41.72 4.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -140.04 127.15 20.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.764 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.6 mm -75.85 119.65 24.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.8 mt -107.44 134.01 50.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -90.9 94.15 9.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.475 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 37.7 t -78.69 152.35 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -123.64 92.51 3.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.59 55.76 2.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -149.02 -47.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.3 m -56.07 123.96 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.1 m -62.33 148.14 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' HA3' ' CH2' ' A' ' 53' ' ' TRP . . . 167.25 178.51 39.58 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.14 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -40.71 160.15 0.14 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.55 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.539 1.81 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.51 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -81.53 50.5 4.24 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.51 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 72.8 m95 -154.32 122.75 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 16.9 mt -110.86 118.54 36.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.566 ' HB2' ' CE3' ' A' ' 53' ' ' TRP . 42.3 t80 -82.12 115.35 21.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -124.81 157.09 19.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.48 1.112 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 m -115.85 115.33 26.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 26.9 t80 -117.69 172.28 7.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' ASN . 2.6 mt-30 -35.73 112.51 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.68 33.87 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.6 m-80 -137.36 117.55 13.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -135.72 112.4 10.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.76 -169.87 27.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.566 ' CE3' ' HB2' ' A' ' 44' ' ' TYR . 39.4 m95 -113.33 137.92 50.79 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 43' ' ' LEU . 28.3 p90 -127.99 160.47 61.31 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 131.72 14.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.38 94.5 2.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 108.314 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.6 t30 177.45 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -83.54 3.99 30.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.587 1.18 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.0 m -117.44 158.68 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.4 OUTLIER -136.41 101.12 4.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -47.65 122.67 5.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.2 mtm -93.35 160.57 32.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 111.011 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 138.01 22.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.0 119.23 12.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.03 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.64 122.55 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 61.85 132.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -152.99 123.52 7.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 60.84 99.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -68.68 119.4 13.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -158.53 89.22 0.96 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.49 157.71 7.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.407 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.3 OUTLIER -113.04 136.27 21.73 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 109.99 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 72' ' ' SER . 18.4 Cg_endo -74.94 -177.14 3.24 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -85.87 175.31 8.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.9 165.4 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -105.67 178.22 4.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.62 166.43 20.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 pp -134.37 154.31 79.79 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 18.3 Cg_endo -75.01 149.11 36.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 110.992 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -75.06 176.35 10.04 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 20.8 p -125.39 178.12 5.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.42 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.8 p -160.91 129.49 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.541 ' O ' HD22 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -138.32 145.64 41.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.022 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.541 HD22 ' O ' ' A' ' 83' ' ' SER . 1.0 OUTLIER -132.5 -166.81 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.86 178.27 0.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -156.44 168.49 27.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.24 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 77.8 p -139.34 -174.46 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.88 170.61 17.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.962 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -138.4 111.14 0.78 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 111.059 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -178.97 4.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 t -134.41 174.39 10.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.005 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.0 p -128.42 172.0 11.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.972 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 p -161.57 89.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 109.999 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m -159.74 90.49 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.0 -136.29 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -131.33 7.31 4.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 m -159.29 145.63 16.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.097 . . . . 0.0 110.046 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.07 127.76 7.56 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.557 ' CD1' HG21 ' A' ' 32' ' ' VAL . 37.7 m-85 -117.61 147.51 42.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.984 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.83 132.68 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.56 120.95 20.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.453 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 48.6 mt -69.67 -51.34 35.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -126.25 162.23 47.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 128.4 11.41 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 110.947 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 46.9 t80 -126.19 154.9 42.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 111.033 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.521 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 2.8 mp0 -125.7 150.78 47.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.21 106.71 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -75.26 -37.9 60.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 110.255 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.15 -170.28 1.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -101.57 39.36 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.588 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -168.52 33.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -117.19 168.86 9.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.0 ttp -108.69 145.58 34.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.92 113.3 21.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -130.8 168.56 17.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -122.22 147.09 46.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.7 p -50.37 136.35 20.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.27 46.81 5.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.466 1.104 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -142.3 128.89 20.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.758 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.733 HG22 ' OE1' ' A' ' 31' ' ' GLN . 33.6 mm -74.61 122.76 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 109.321 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.3 mt -110.6 115.74 50.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.733 ' OE1' HG22 ' A' ' 29' ' ' ILE . 1.5 mp0 -74.72 87.5 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 8' ' ' TYR . 24.6 t -66.17 137.66 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.372 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -101.62 98.9 9.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -83.69 49.22 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -138.61 -51.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.3 m -56.51 128.89 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.45 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.8 p -83.87 156.09 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.363 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.97 -168.85 41.97 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -44.32 151.56 0.56 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 110.244 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -39.24 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -95.05 50.1 1.94 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.028 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 68.7 m95 -156.02 153.51 29.58 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.587 ' O ' ' CE1' ' A' ' 54' ' ' PHE . 17.8 mt -134.55 127.01 30.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 21.5 t80 -101.67 128.19 48.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.63 160.13 27.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.472 1.107 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.4 m -112.15 116.18 30.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.028 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' GLN . 26.5 t80 -113.6 172.21 7.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 50' ' ' ASN . 2.2 mt-30 -34.96 108.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 34.88 34.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 48' ' ' GLN . 78.4 m-20 -139.39 121.12 15.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 0.754 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -136.01 117.04 14.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -158.76 -171.97 25.27 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.507 1.129 . . . . 0.0 111.003 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 66.2 m95 -111.84 124.67 52.85 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 48.4 p90 -115.13 161.92 26.96 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 111.031 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.5 Cg_endo -74.99 135.17 18.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.783 . . . . 0.0 111.025 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.426 ' C ' ' OD1' ' A' ' 57' ' ' ASN . 27.1 p -78.71 91.82 4.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 108.309 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.426 ' OD1' ' C ' ' A' ' 56' ' ' CYS . 5.1 p-10 164.32 -29.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.569 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 2.8 m-85 -77.0 -16.66 59.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.9 m -98.18 165.65 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.453 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -137.06 110.75 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -53.56 101.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.5 ptm -57.64 158.24 12.23 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.994 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 111.71 3.39 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.541 1.811 . . . . 0.0 111.014 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.4 t -132.28 -49.49 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.72 126.26 30.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.989 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -139.33 -45.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.4 t30 174.29 149.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -88.03 103.54 15.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.7 tptm 64.01 127.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.72 147.32 28.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.01 133.95 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.6 m -123.49 89.84 50.91 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.983 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.03 -168.55 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.45 1.763 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 39.8 41.11 0.77 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.459 1.099 . . . . 0.0 109.342 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 tppt? -103.33 88.96 3.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -41.93 160.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 40.78 73.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.02 145.65 98.92 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 172.28 16.69 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.501 1.79 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 127.37 10.62 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.4 t -129.38 142.18 50.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.442 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 p -171.82 150.97 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.32 128.15 47.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.643 ' H ' HD23 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -84.38 155.85 22.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.2 141.34 0.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -163.15 168.8 20.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.1 t -155.59 159.22 39.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.424 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.0 p -116.42 167.52 10.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -150.59 97.96 0.18 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 176.13 10.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.461 1.769 . . . . 0.0 111.022 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.81 173.9 6.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.142 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.5 t -172.75 167.89 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.022 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -141.58 -58.37 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 0.773 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m 54.18 94.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.956 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 83.58 -99.51 2.19 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.54 1.15 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m 60.22 166.56 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 0.796 . . . . 0.0 109.969 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.04 -53.43 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.05 113.62 0.33 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.025 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -121.35 149.26 43.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 0.781 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -94.29 120.69 34.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.09 124.74 17.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.436 HD21 ' HB3' ' A' ' 60' ' ' GLU . 27.5 mt -81.88 -43.12 18.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -134.5 155.74 79.4 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 105.76 2.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.498 1.789 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -105.91 149.98 26.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -125.6 146.93 49.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.8 124.76 28.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -107.55 -8.61 16.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -114.45 173.67 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -90.7 38.91 0.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.59 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -173.92 44.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -135.4 161.59 35.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -103.44 160.67 14.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.43 112.66 9.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.01 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -133.77 176.09 8.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -126.53 148.64 49.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.079 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.73 156.29 0.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.012 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.17 39.72 92.51 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.491 1.12 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -141.9 121.23 13.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 0.807 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.7 mm -63.52 131.73 29.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 32' ' ' VAL . 5.0 mm -110.87 107.52 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -67.02 74.37 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 30' ' ' ILE . 93.7 t -75.2 136.99 23.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.36 110.59 22.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -87.98 46.4 1.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 110.313 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -137.93 -56.06 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.24 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.0 m -53.26 125.94 19.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.2 p -103.09 160.56 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.98 -100.8 0.16 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.56 1.163 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.537 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 1.5 mm-40 -71.1 163.95 61.09 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.747 . . . . 0.0 110.289 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -85.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 111.03 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.82 59.3 4.76 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.537 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 85.1 m95 -143.05 138.23 29.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.592 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 81.9 mt -114.93 124.2 51.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 25.4 t80 -97.02 132.64 42.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.65 179.71 24.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.5 p -130.32 118.14 20.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.986 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.446 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 31.6 t80 -122.18 172.32 8.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.446 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 1.7 mt-30 -35.22 109.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.268 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.36 34.49 0.06 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.53 1.143 . . . . 0.0 111.003 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 69.6 m-20 -138.1 112.95 9.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.783 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -134.67 110.47 9.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.49 -169.96 27.71 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.509 1.131 . . . . 0.0 110.973 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.443 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 32.2 m95 -107.38 149.2 28.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 53.9 p90 -143.64 161.2 47.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.04 21.21 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.536 1.808 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 26.5 p -78.64 90.68 4.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 108.303 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.484 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 4.7 p-10 -172.44 -41.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.48 ' O ' HG13 ' A' ' 59' ' ' VAL . 95.9 m-85 -85.23 48.88 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 58' ' ' TYR . 17.9 m -154.86 160.47 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.436 ' HB3' HD21 ' A' ' 11' ' ' LEU . 2.8 pt-20 -135.75 104.75 5.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.5 tttm -47.95 103.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.148 . . . . 0.0 109.359 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 ptp -53.08 159.19 2.05 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 119.01 5.46 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.787 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -134.33 -53.7 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -57.54 102.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.7 -51.07 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.326 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 50.76 97.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -144.42 96.23 2.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -127.85 58.35 1.51 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 64.58 131.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.8 m -83.53 109.85 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.85 95.33 7.0 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 65.07 6.06 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 2.2 tptt 43.71 72.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 52.7 176.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.92 161.12 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 tt 62.53 136.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -138.91 154.78 73.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.83 17.56 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.455 1.766 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.25 35.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 15.7 m -108.3 140.97 40.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.5 m -54.53 179.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.8 p -120.53 170.89 8.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.147 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.98 128.12 20.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.3 p -115.61 170.19 8.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -148.75 177.86 9.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -166.77 166.88 15.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.5 p -153.35 174.27 14.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -156.53 152.45 23.84 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -172.73 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.478 1.778 . . . . 0.0 110.958 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 88.4 p -149.98 161.49 42.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.6 t -131.08 169.04 16.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.984 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.486 1.116 . . . . 0.0 111.011 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.28 152.36 22.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 0.794 . . . . 0.0 110.008 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.8 m 59.62 157.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.017 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.79 -140.98 12.17 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 111.026 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.2 p -65.3 166.33 10.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 0.805 . . . . 0.0 110.012 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.33 -51.33 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.56 127.0 3.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.633 ' CD1' HG21 ' A' ' 32' ' ' VAL . 20.3 m-85 -134.83 144.61 47.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.28 134.01 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -75.38 123.32 25.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 60' ' ' GLU . 20.3 mt -74.78 -47.92 28.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -123.07 159.83 52.37 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 120.5 6.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.448 1.762 . . . . 0.0 110.986 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -113.25 168.09 10.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -144.66 154.95 43.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.4 173.82 8.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.58 -36.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -56.36 -68.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -174.83 -73.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.582 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.21 51.4 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -99.65 149.32 23.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.482 ' CE ' ' O ' ' A' ' 45' ' ' GLY . 0.7 OUTLIER -101.47 139.43 37.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.4 p -114.27 133.78 55.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.436 ' CE1' ' HB1' ' A' ' 10' ' ' ALA . 5.0 p90 -149.33 170.53 18.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -118.71 147.97 43.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.7 p -53.62 130.18 35.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.969 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.33 43.98 3.34 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -140.09 128.18 22.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 0.775 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.4 mm -77.51 119.18 25.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.0 mt -107.49 119.46 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -77.39 86.53 3.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.633 HG21 ' CD1' ' A' ' 8' ' ' TYR . 64.3 t -68.74 140.13 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -112.16 94.84 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.71 -29.64 70.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.25 -54.43 43.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.8 m -55.45 127.59 30.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -88.37 157.79 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.489 ' HA3' ' CH2' ' A' ' 53' ' ' TRP . . . 174.44 -172.92 45.78 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -43.13 164.65 0.13 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -61.75 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.578 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -83.47 47.75 3.9 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.555 1.16 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 41' ' ' GLY . 71.2 m95 -156.65 126.87 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.496 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 7.4 mt -119.5 133.36 55.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.528 ' HB2' ' CZ3' ' A' ' 53' ' ' TRP . 17.0 t80 -89.58 132.09 35.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' ' CE ' ' A' ' 22' ' ' MET . . . -143.01 149.62 21.51 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.5 p -107.74 127.16 53.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 48' ' ' GLN . 23.0 t80 -129.66 172.12 11.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 50' ' ' ASN . 1.8 mt-30 -35.36 111.47 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.41 34.29 0.06 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.2 m-80 -137.96 115.98 11.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 2.8 m-85 -135.54 111.43 9.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.94 -173.15 32.28 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.528 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 77.5 m95 -102.54 133.14 48.0 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.496 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 7.4 p90 -123.91 160.64 50.81 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.997 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 58' ' ' TYR . 18.4 Cg_endo -74.98 127.95 11.11 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.535 1.808 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.3 p -63.76 -23.63 67.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 108.346 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.434 ' O ' ' CD2' ' A' ' 58' ' ' TYR . 5.7 p-10 -84.18 54.84 3.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.555 ' CD2' ' HG2' ' A' ' 55' ' ' PRO . 1.8 m-85 -163.47 -43.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 30.3 m -82.04 161.46 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.525 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.5 OUTLIER -122.47 121.91 37.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 8' ' ' TYR . 13.6 tttt -62.4 98.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 17.4 ptm -61.72 158.04 44.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 104.03 1.83 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 t -147.99 113.59 5.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.97 146.41 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -129.88 150.11 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -174.22 -40.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 59.91 150.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -71.38 154.0 41.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.81 175.14 5.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.8 p -50.72 147.42 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 35.6 p -128.3 151.77 76.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 174.56 12.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.496 1.788 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.1 mttt 64.1 132.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.32 175.98 8.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -176.3 84.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.594 1.184 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.88 118.19 28.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.981 HD13 ' HD2' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -102.47 139.17 19.97 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.981 ' HD2' HD13 ' A' ' 78' ' ' LEU . 18.3 Cg_endo -74.97 113.54 3.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.85 15.56 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.4 t -130.06 145.39 51.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.17 125.3 12.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.2 p -133.55 172.05 13.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.67 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -151.29 163.17 39.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.486 ' N ' HD22 ' A' ' 84' ' ' LEU . 60.8 p -141.55 -178.87 5.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -139.27 173.22 11.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.5 m -141.69 131.51 24.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.366 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.25 173.02 6.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.117 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -139.6 102.06 0.33 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.31 8.75 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.75 171.7 12.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.98 168.22 13.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 m 50.06 98.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 0.765 . . . . 0.0 109.957 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.8 p -134.76 166.07 23.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.959 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.42 -100.3 2.65 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.03 155.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 0.774 . . . . 0.0 110.036 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 t -115.81 -63.76 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.95 106.04 3.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.519 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 19.4 m-85 -122.68 170.15 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 110.99 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -127.38 105.87 8.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 26' ' ' SER . . . -50.64 122.88 7.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.785 HD11 ' HB3' ' A' ' 60' ' ' GLU . 69.8 mt -80.88 -48.87 11.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -126.45 154.8 75.06 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 111.033 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 108.3 2.69 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.445 1.761 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CE2' ' O ' ' A' ' 15' ' ' GLU . 52.9 t80 -95.34 167.88 11.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.112 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.456 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -127.56 163.66 23.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 21' ' ' GLU . . . -127.57 99.05 5.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -136.69 42.67 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.84 -60.27 1.78 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 176.89 -69.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.586 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.01 54.04 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.405 ' O ' ' HB1' ' A' ' 16' ' ' ALA . 2.7 mt-10 -117.07 153.16 33.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 110.33 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -111.44 162.84 14.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.1 p -122.77 126.27 47.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.994 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.555 ' HB2' HD11 ' A' ' 30' ' ' ILE . 15.1 p90 -142.08 145.1 33.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -100.19 140.42 34.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 10' ' ' ALA . 82.4 p -40.61 151.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.033 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.68 -53.44 4.54 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -44.86 126.13 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.763 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.435 HD12 ' SD ' ' A' ' 62' ' ' MET . 44.9 mm -71.36 125.77 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.555 HD11 ' HB2' ' A' ' 24' ' ' PHE . 8.4 mm -100.35 106.74 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 mp0 -70.64 73.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.519 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 70.1 t -72.33 139.67 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.14 90.69 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -52.1 -26.46 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -57.34 -56.93 15.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.9 m -62.89 125.81 25.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.422 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -135.24 156.07 38.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.31 -102.08 0.15 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -45.96 163.43 0.22 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 0.772 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -88.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.453 1.765 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.93 57.35 4.83 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.485 1.115 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 75.1 m95 -147.81 154.65 40.75 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.602 ' O ' ' CE1' ' A' ' 54' ' ' PHE . 17.4 mt -138.52 131.2 29.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -98.69 135.68 39.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.82 -176.89 19.21 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -134.23 114.99 13.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.055 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CZ ' ' OE1' ' A' ' 48' ' ' GLN . 30.8 t80 -119.06 167.71 11.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.596 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 2.0 mt-30 -35.05 111.06 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.2 34.43 0.05 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' GLN . 75.5 m-20 -141.76 111.32 6.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 0.758 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -137.39 115.82 11.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.5 -171.57 29.91 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -98.5 123.88 42.91 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 43' ' ' LEU . 55.1 p90 -121.13 160.79 43.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.01 137.29 21.5 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.475 1.776 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.459 ' HA ' HD12 ' A' ' 43' ' ' LEU . 23.3 p -68.34 -29.16 67.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 108.278 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -79.74 55.08 1.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 1.0 OUTLIER -159.35 -43.11 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.455 HG21 ' HE2' ' A' ' 54' ' ' PHE . 33.7 m -89.35 171.38 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.785 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -141.74 122.6 14.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.088 . . . . 0.0 110.258 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -66.78 97.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.435 ' SD ' HD12 ' A' ' 29' ' ' ILE . 9.7 ptm -65.19 157.61 76.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 168.32 25.08 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.522 1.801 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.98 -70.37 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -172.4 -40.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -137.29 118.84 14.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.34 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -144.69 96.84 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -150.19 161.05 43.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.59 154.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 71' ' ' VAL . . . -97.16 96.71 8.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 72' ' ' SER . 0.4 OUTLIER 53.82 172.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.517 ' N ' HG13 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -115.99 149.36 43.19 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.464 1.771 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 159.22 15.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -171.98 146.43 1.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -103.67 134.79 46.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.624 HD23 ' H ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -136.26 168.21 19.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.233 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.624 ' H ' HD23 ' A' ' 77' ' ' LEU . 0.7 OUTLIER -107.05 159.58 29.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 18.5 Cg_endo -74.95 152.98 41.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 18.4 Cg_endo -74.99 170.07 21.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.444 1.76 . . . . 0.0 110.993 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.6 t -114.55 150.88 34.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 8.7 p -83.63 157.71 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.9 169.93 16.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.959 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 tp -121.98 170.93 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.9 p -133.49 167.4 20.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -138.78 175.34 9.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 73.3 p -142.04 178.44 7.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.427 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.0 p -153.21 172.46 16.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -141.54 153.12 23.88 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.561 1.163 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -177.14 3.25 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.469 1.773 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.07 165.51 35.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 109.996 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.5 p -115.53 168.22 10.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.509 1.131 . . . . 0.0 111.008 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.65 106.05 8.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -80.8 102.86 10.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.979 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.28 -150.59 22.66 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p 57.87 163.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 0.794 . . . . 0.0 109.989 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -147.8 166.25 28.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.62 142.65 13.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.559 ' CD1' ' CG2' ' A' ' 32' ' ' VAL . 19.2 m-85 -134.49 143.63 47.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.8 ttp85 -97.85 143.67 28.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HB1' ' HD2' ' A' ' 24' ' ' PHE . . . -80.96 121.46 26.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.506 HD21 ' HB3' ' A' ' 60' ' ' GLU . 12.9 mt -75.53 -48.6 21.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -127.95 161.99 52.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.96 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 120.41 6.04 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -99.5 167.74 10.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -133.5 134.23 43.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.432 ' CB ' ' HB3' ' A' ' 21' ' ' GLU . . . -132.48 114.5 14.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.1 26.26 10.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -136.31 159.78 40.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -85.05 72.66 10.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.549 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 178.84 -37.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HB3' ' CB ' ' A' ' 16' ' ' ALA . 11.4 mt-10 -85.82 146.12 26.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.283 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.459 ' CG ' ' HB3' ' A' ' 50' ' ' ASN . 2.7 ttm -102.64 150.09 23.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 89.3 p -115.47 132.33 56.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.413 ' HD2' ' HB1' ' A' ' 10' ' ' ALA . 14.3 p90 -152.16 156.16 39.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -113.61 139.27 49.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.7 p -40.36 125.2 2.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.77 44.9 2.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 80.7 m-20 -141.48 120.22 12.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.8 mm -71.46 124.4 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 22.7 mt -112.07 134.59 54.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -92.44 93.34 8.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.329 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.559 ' CG2' ' CD1' ' A' ' 8' ' ' TYR . 46.2 t -74.91 125.27 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.5 79.0 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -47.13 -32.31 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -55.8 -60.36 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.8 m -50.84 124.33 10.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -114.42 162.55 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 171.58 -99.92 0.15 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.42 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 5.0 mm-40 -69.35 165.09 43.15 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.415 ' CD ' ' CD ' ' A' ' 39' ' ' GLU . 18.4 Cg_endo -75.02 -85.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.482 1.78 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.43 57.23 5.03 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.508 1.13 . . . . 0.0 111.065 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.42 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 90.4 m95 -143.67 125.75 15.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.589 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 23.6 mt -109.12 116.93 32.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -83.95 116.0 22.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.03 158.67 16.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 90.3 p -117.89 115.65 25.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.79 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 28' ' ' ASP . 21.2 t80 -118.8 172.15 7.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' PHE . 2.4 mt-30 -35.16 110.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.52 36.39 0.1 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.459 ' HB3' ' CG ' ' A' ' 22' ' ' MET . 3.2 m-80 -138.92 119.43 13.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 0.733 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -137.2 114.2 10.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.63 -169.88 27.75 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 14.0 m95 -112.04 152.32 28.32 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.589 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 31.4 p90 -145.47 160.43 45.01 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 130.02 12.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' ' 43' ' ' LEU . 44.7 t -71.75 77.63 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 108.319 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -160.22 -45.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -86.5 43.35 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.426 ' N ' HD12 ' A' ' 11' ' ' LEU . 29.8 m -151.02 140.5 15.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.506 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -118.65 94.42 4.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.264 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.4 tttt -41.65 132.21 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.9 162.13 21.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 156.65 43.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.5 1.789 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 95.5 p -144.29 100.96 3.63 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.4 t -171.34 119.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -113.56 80.67 1.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -65.64 130.0 41.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 54.7 tt0 -114.33 145.25 42.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.13 67.0 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.38 130.88 2.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.4 p -42.04 131.41 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.2 133.38 87.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.016 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 78.43 2.91 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.507 1.793 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -161.17 133.03 5.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.15 130.2 34.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -168.77 174.44 6.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.1 tt 65.65 124.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.8 mp -95.09 165.78 16.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 124.53 8.71 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 171.36 18.46 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.461 1.769 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.3 p -95.17 174.25 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.42 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.442 HG22 ' H ' ' A' ' 83' ' ' SER . 8.5 p -132.83 168.29 24.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 82' ' ' VAL . 71.2 p -160.49 161.75 32.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.47 177.97 7.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.75 171.35 18.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -135.11 164.25 28.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 38.7 m -149.04 125.26 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.7 p -96.14 174.95 6.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -154.06 154.07 25.26 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.466 1.104 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -171.94 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.7 p -145.63 166.59 25.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.4 m -144.21 169.46 17.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.13 . . . . 0.0 110.002 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 110.949 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 m -51.33 -57.99 7.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.961 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 m -69.43 104.91 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.56 -104.06 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.551 1.157 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 p -77.19 163.29 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 109.992 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.99 -53.07 2.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.166 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.93 118.0 0.97 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.556 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 18.1 m-85 -125.52 166.6 16.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 0.766 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ttp85 -116.77 118.38 32.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.8 132.6 31.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.484 HD21 ' HB3' ' A' ' 60' ' ' GLU . 15.1 mt -87.87 -44.54 10.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -143.15 156.42 61.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 101.77 1.51 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.596 ' CZ ' ' OE2' ' A' ' 21' ' ' GLU . 2.3 t80 -104.67 138.86 40.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.519 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 4.1 tt0 -91.74 141.33 28.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.245 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.99 86.94 3.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -105.0 49.12 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -138.97 -156.25 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.21 -68.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 109.607 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -117.25 55.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.596 ' OE2' ' CZ ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -93.29 157.44 16.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.439 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 2.0 ttm -99.46 158.15 15.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 76.1 p -123.98 131.32 53.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.037 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -155.56 173.77 16.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -130.13 145.45 51.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -40.34 158.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.44 44.56 97.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.601 ' OD1' ' CE1' ' A' ' 47' ' ' PHE . 2.1 t0 -134.64 139.37 45.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 0.732 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.452 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 42.6 mm -86.49 116.31 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.4 mm -101.21 110.45 28.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -70.05 73.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.556 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 61.4 t -74.27 141.16 16.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -105.97 104.99 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -82.07 52.71 2.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -145.42 -51.51 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.5 m -51.27 128.58 22.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 110.428 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 p -106.29 146.08 13.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.23 -100.87 0.14 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.575 1.172 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.425 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 5.5 mm-40 -70.57 161.64 75.67 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.471 0.747 . . . . 0.0 110.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -76.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.544 1.813 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.42 62.48 2.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.425 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 85.6 m95 -147.49 140.91 25.36 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 93.7 mt -119.12 119.44 34.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -92.82 126.77 38.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.37 -168.56 11.5 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.2 p -144.52 115.29 7.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 0.766 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.601 ' CE1' ' OD1' ' A' ' 28' ' ' ASP . 45.6 t80 -120.67 172.32 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 111.035 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.496 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.48 111.3 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.84 33.18 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 48' ' ' GLN . 5.8 m-80 -137.08 113.56 10.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -135.8 109.4 7.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.965 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -161.97 -170.16 26.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -108.41 146.74 32.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.695 ' HE1' HG21 ' A' ' 59' ' ' VAL . 45.6 p90 -140.48 160.72 58.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.47 14.32 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 30.6 p -70.73 64.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 108.337 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -143.27 -47.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.613 ' O ' HG13 ' A' ' 59' ' ' VAL . 88.8 m-85 -86.48 43.02 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.087 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.695 HG21 ' HE1' ' A' ' 54' ' ' PHE . 19.5 m -158.7 137.13 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.484 ' HB3' HD21 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -113.53 123.47 50.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -69.83 106.29 3.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.3 ptp -58.2 159.19 11.79 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 98.87 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.469 1.773 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.3 t -84.06 95.68 8.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.82 124.79 12.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.95 168.36 14.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -111.89 162.96 14.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.78 117.64 23.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.7 tptm 56.07 87.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.43 83.16 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.7 m -115.59 120.62 65.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.0 p -127.89 86.87 57.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 109.976 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 70.62 5.25 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.486 1.782 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -121.86 91.97 3.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -70.69 90.98 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 1.172 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -96.09 168.26 10.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.108 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.11 131.98 44.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 0.5 OUTLIER -111.18 143.85 29.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 78' ' ' LEU . 18.3 Cg_endo -74.98 155.5 43.01 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.537 1.809 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 176.7 9.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.446 1.761 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.9 t -160.81 119.77 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 30.8 m -125.97 177.86 4.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.244 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.58 170.99 14.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.77 151.51 22.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 p -157.74 163.99 37.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -165.66 174.95 9.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.7 t -173.05 136.48 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.7 t -128.35 173.65 10.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.963 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.68 116.94 0.75 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.534 1.147 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 177.62 8.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.6 p -137.8 171.47 14.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 85.7 p -145.6 171.04 15.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.555 1.16 . . . . 0.0 111.009 179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 m -166.1 -62.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.989 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.0 p -148.4 88.81 1.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.52 53.86 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.05 154.5 48.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.407 ' HB3' ' CE1' ' A' ' 8' ' ' TYR . 0.4 OUTLIER -124.36 164.23 20.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.985 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.01 94.15 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 27.2 m-85 -87.83 169.77 11.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.427 ' CB ' ' HG3' ' A' ' 62' ' ' MET . 44.8 ttp180 -128.48 114.65 17.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.9 119.67 5.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.782 HD11 ' HB2' ' A' ' 60' ' ' GLU . 31.4 mt -77.78 -46.21 22.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -127.29 154.19 77.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.3 2.06 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.991 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.451 ' HB2' ' CE2' ' A' ' 58' ' ' TYR . 6.0 t80 -114.92 124.94 52.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.53 157.42 16.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.64 87.49 5.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.35 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.87 -38.26 3.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -176.93 -163.1 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.5 m170 52.15 -171.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 109.596 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -85.5 49.24 1.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.78 156.98 20.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.5 ttp -91.44 151.65 20.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 p -124.99 133.18 53.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -162.85 158.64 22.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -115.66 150.23 37.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 t -50.77 159.84 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 109.995 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.55 26.65 74.28 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -133.56 121.36 22.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.1 mm -63.13 138.25 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.2 mm -116.72 108.33 24.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -69.8 73.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.517 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 84.9 t -70.14 139.73 19.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.27 105.73 16.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -83.39 51.53 2.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -143.71 -47.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.519 HG21 ' CD2' ' A' ' 44' ' ' TYR . 53.6 m -63.59 132.52 51.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.9 t -118.93 148.09 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.357 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.424 ' HA3' ' CH2' ' A' ' 53' ' ' TRP . . . -166.76 -100.98 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.539 1.149 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.601 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 0.8 OUTLIER -75.23 163.72 65.96 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 110.327 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -81.77 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.65 55.25 4.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.601 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 80.4 m95 -145.61 153.24 40.83 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.543 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 13.7 mt -132.86 123.99 27.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.519 ' CD2' HG21 ' A' ' 36' ' ' THR . 25.7 t80 -96.32 126.61 41.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -140.15 -175.57 14.49 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.457 1.098 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 m -133.71 115.31 14.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 0.744 . . . . 0.0 109.988 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.467 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 33.7 t80 -119.58 172.42 7.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.467 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 3.8 mt-30 -35.04 108.92 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.86 33.42 0.06 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.145 . . . . 0.0 111.043 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' GLN . 65.3 m-20 -136.86 114.24 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -135.09 109.84 8.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 111.021 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.26 -169.89 24.14 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.458 ' CZ3' ' HB2' ' A' ' 44' ' ' TYR . 72.7 m95 -101.25 124.97 47.79 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 24.0 p90 -120.85 160.7 43.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.03 131.19 13.97 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.534 1.807 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.427 ' CB ' HD12 ' A' ' 43' ' ' LEU . 18.0 p -65.68 -22.88 66.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.105 . . . . 0.0 108.308 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.411 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 7.2 p-10 -84.53 53.55 2.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.551 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 1.4 m-85 -159.96 -43.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 m -87.8 156.7 3.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.782 ' HB2' HD11 ' A' ' 11' ' ' LEU . 1.2 tt0 -124.4 130.2 52.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -69.82 115.25 8.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.427 ' HG3' ' CB ' ' A' ' 9' ' ' ARG . 2.0 mtm -96.92 160.19 29.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 111.021 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 138.5 23.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.61 92.48 5.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.5 p -137.74 80.3 1.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.6 79.55 4.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 72.2 m-80 57.77 169.82 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.16 172.49 8.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.07 151.5 22.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -111.17 155.31 23.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.7 p -52.12 125.92 6.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.12 124.72 88.4 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.47 2.09 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.468 1.773 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 163.61 19.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -165.36 129.93 2.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.07 169.1 18.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 tp -165.14 124.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.28 128.21 93.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 152.52 40.66 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.808 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -166.11 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.539 1.81 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.7 t -138.77 141.62 38.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.411 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 62.7 t -134.51 139.51 47.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.4 m -123.07 163.69 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.996 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 tp -144.26 100.55 3.56 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 18.0 p -72.35 173.38 8.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.966 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -151.33 158.68 44.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.8 p -118.95 166.3 13.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.3 m -167.93 171.44 9.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.044 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -130.55 156.97 21.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -174.57 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.537 1.809 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.3 p -161.23 164.86 30.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.29 165.96 10.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.977 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -47.47 144.3 3.11 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.754 . . . . 0.0 110.063 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.9 p -165.73 99.47 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.19 98.31 0.39 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.481 1.113 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -109.38 163.69 13.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 0.738 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -113.71 -55.65 2.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.972 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.36 131.8 2.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.472 ' CD1' HG21 ' A' ' 32' ' ' VAL . 18.9 m-85 -133.13 143.8 49.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 0.768 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -99.24 136.45 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.09 120.12 17.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.416 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 33.2 mt -71.69 -55.86 6.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -125.71 158.39 65.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.3 12.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 110.969 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.477 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 3.2 t80 -139.61 140.57 37.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.477 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -102.47 143.17 32.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' CB ' ' HB3' ' A' ' 21' ' ' GLU . . . -58.78 149.47 26.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.27 -43.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -61.01 -169.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -77.3 -44.69 28.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.577 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.24 61.98 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' HB3' ' CB ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -99.74 157.61 16.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.4 ttp -107.62 142.89 36.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 64.5 p -113.23 134.41 54.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -155.76 -179.74 8.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -135.91 147.54 48.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.0 p -52.96 134.19 37.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.23 35.58 5.46 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.532 ' HB3' ' CE1' ' A' ' 47' ' ' PHE . 17.6 m-20 -137.61 122.86 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.3 mm -73.59 120.01 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.7 mt -106.11 119.66 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -78.85 91.31 4.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.339 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.472 HG21 ' CD1' ' A' ' 8' ' ' TYR . 76.8 t -77.3 150.37 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -117.07 82.74 1.86 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -43.4 -45.76 6.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.272 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -42.54 -61.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 88.7 m -53.34 127.11 23.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.392 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 38' ' ' GLY . 13.0 p -127.63 161.61 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' N ' HG22 ' A' ' 37' ' ' VAL . . . 177.28 -99.56 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.51 ' OE1' ' CD1' ' A' ' 42' ' ' TRP . 0.9 OUTLIER -68.15 165.04 36.75 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.497 0.763 . . . . 0.0 110.258 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -78.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.401 ' O ' ' CD1' ' A' ' 42' ' ' TRP . . . -86.87 59.02 4.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.51 ' CD1' ' OE1' ' A' ' 39' ' ' GLU . 81.8 m95 -153.42 125.41 7.87 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.002 -1.111 . . . . 0.0 108.002 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 15.1 mt -114.18 135.63 53.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.597 ' CD1' ' CD1' ' A' ' 53' ' ' TRP . 27.9 t80 -99.73 137.97 37.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -152.57 -179.56 28.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.468 1.105 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.1 m -129.48 115.9 18.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.006 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 28' ' ' ASP . 42.5 t80 -115.31 172.22 7.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.495 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.05 109.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.45 36.14 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.2 m-80 -140.13 119.87 13.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 0.785 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -134.57 109.89 8.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -160.76 -170.34 25.24 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.49 1.119 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.597 ' CD1' ' CD1' ' A' ' 44' ' ' TYR . 20.3 m95 -111.13 147.03 35.77 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 43' ' ' LEU . 46.6 p90 -136.44 160.99 64.64 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 135.63 19.23 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.0 t -79.14 94.41 5.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 108.321 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.452 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 4.8 p-10 -178.93 -39.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -90.19 23.65 2.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 26.0 m -131.33 154.57 40.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -133.57 103.32 5.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.272 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 tttm -50.79 115.06 1.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.7 mtm -88.33 160.15 45.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 111.051 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 132.66 15.76 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.88 89.28 6.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.4 t -157.13 76.86 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.86 107.25 6.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 173.66 96.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.79 156.95 28.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.96 163.13 23.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.83 154.23 29.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.532 ' O ' HG13 ' A' ' 71' ' ' VAL . 2.2 p -109.95 111.54 36.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.88 117.89 69.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.023 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 65.26 6.05 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.786 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -68.12 140.09 56.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -74.24 163.36 27.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -177.76 167.72 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.7 175.23 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.8 mt -118.23 115.09 36.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 160.25 40.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.543 1.812 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -178.19 4.0 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.7 m -156.02 136.35 13.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.375 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.3 m -125.79 176.59 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.7 p -162.09 171.99 16.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.0 ' O ' HD13 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -174.55 146.65 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.5 ' N ' HD22 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -138.89 173.68 11.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 110.02 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -161.92 176.05 11.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.4 t -163.32 165.54 24.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 110.391 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.6 p -168.42 171.09 9.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -168.59 101.78 0.18 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.493 1.12 . . . . 0.0 110.977 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -179.36 4.91 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.512 1.796 . . . . 0.0 110.965 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.0 t -141.42 175.19 9.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.7 172.09 14.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 t -68.79 118.93 12.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 0.782 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 p -61.86 146.6 49.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.29 164.04 22.36 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -142.27 170.12 16.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 110.003 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -112.06 -68.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.99 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.55 76.88 1.0 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.574 ' CD1' ' HB ' ' A' ' 32' ' ' VAL . 18.8 m-85 -83.99 166.51 17.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 111.008 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.418 ' HB3' ' CG ' ' A' ' 60' ' ' GLU . 5.3 ttp85 -118.4 129.24 55.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.4 120.68 16.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.746 HD11 ' HB3' ' A' ' 60' ' ' GLU . 14.0 mt -80.65 -46.15 16.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -127.96 155.16 78.12 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 103.15 1.68 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.494 1.787 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -85.81 164.93 17.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -137.17 115.26 11.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.08 . . . . 0.0 110.311 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -49.15 122.07 5.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.471 ' O ' ' CB ' ' A' ' 18' ' ' ASN . 10.2 ttm180 -88.19 42.54 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.471 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 1.6 t30 79.98 173.12 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 76.39 -157.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.605 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -88.24 45.51 1.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.42 154.86 19.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.345 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.7 ttm -98.37 157.28 16.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.0 p -133.96 125.8 28.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -147.28 167.31 24.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -109.65 158.02 18.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.9 p -67.49 136.87 55.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.085 . . . . 0.0 110.004 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.12 30.68 12.08 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.599 ' OD1' ' CE1' ' A' ' 47' ' ' PHE . 13.2 t70 -123.04 161.58 24.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.446 HD12 ' SD ' ' A' ' 62' ' ' MET . 43.8 mm -100.58 115.56 42.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mm -97.32 107.03 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -69.45 73.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.574 ' HB ' ' CD1' ' A' ' 8' ' ' TYR . 92.2 t -70.04 127.14 31.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.32 88.37 4.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.64 -19.23 9.79 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -58.16 -56.99 14.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.2 m -63.91 131.6 48.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 0.0 110.398 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.14 155.22 36.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.5 -103.24 0.17 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 42' ' ' TRP . 0.7 OUTLIER -50.44 161.43 0.62 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.267 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -85.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.497 1.788 . . . . 0.0 111.037 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.22 59.42 4.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.466 ' CD1' ' HB3' ' A' ' 39' ' ' GLU . 64.4 m95 -143.81 152.49 41.27 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 20.9 mt -133.36 115.06 14.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.4 t80 -84.48 134.65 34.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -144.81 167.95 27.03 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -125.33 115.36 20.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 0.75 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.599 ' CE1' ' OD1' ' A' ' 28' ' ' ASP . 45.0 t80 -120.38 172.19 7.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.2 mt-30 -35.28 110.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.75 33.85 0.06 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 48' ' ' GLN . 4.4 m-80 -135.53 113.49 11.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 0.791 . . . . 0.0 109.354 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -136.96 109.23 7.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.71 -169.85 27.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -104.29 139.03 39.86 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.64 ' CE1' HG21 ' A' ' 59' ' ' VAL . 7.0 p90 -135.11 161.05 65.89 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.04 131.02 13.78 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.552 1.817 . . . . 0.0 110.985 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.417 ' CB ' ' CD1' ' A' ' 43' ' ' LEU . 25.2 p -64.92 -19.44 65.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 108.273 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.503 ' O ' ' CD1' ' A' ' 58' ' ' TYR . 8.2 p30 -84.63 51.19 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.567 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 2.8 m-85 -159.46 -42.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.64 HG21 ' CE1' ' A' ' 54' ' ' PHE . 30.8 m -91.94 157.02 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.746 ' HB3' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -120.92 143.08 49.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -80.55 112.47 17.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.446 ' SD ' HD12 ' A' ' 29' ' ' ILE . 33.6 mtp -78.04 161.32 71.3 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 158.11 42.2 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.491 1.785 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 p -75.42 79.47 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.29 154.95 19.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 66.96 94.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.292 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -129.55 119.7 24.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -173.29 84.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.97 111.05 9.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -165.38 72.77 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.36 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.2 m -123.15 55.68 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.87 144.52 31.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 109.966 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 116.73 4.66 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.528 1.804 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -62.71 141.24 58.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.3 mttm 71.03 -173.18 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . 57.88 -179.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 mp -45.47 156.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 mp -139.15 154.66 72.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -165.37 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.1 m -114.42 161.3 18.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.7 m -89.14 176.45 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.42 177.64 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 tp -151.48 100.52 2.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.37 166.73 12.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.023 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -146.3 169.04 19.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.3 p -146.12 -179.13 6.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t 179.35 174.29 0.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -161.42 156.35 27.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.544 1.153 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -169.3 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.63 -58.88 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.958 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.11 161.64 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.53 1.143 . . . . 0.0 110.961 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 m 51.75 95.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 110.019 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 m -111.68 166.69 10.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.999 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.8 -141.77 27.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 111.026 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 p 54.01 173.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.794 . . . . 0.0 110.029 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -139.34 -173.42 3.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.74 89.4 0.15 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.469 1.106 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.763 ' CD1' HG21 ' A' ' 32' ' ' VAL . 6.1 m-85 -80.63 143.8 32.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -108.44 122.28 46.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.445 ' HB1' ' CD1' ' A' ' 24' ' ' PHE . . . -68.67 123.9 22.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.471 ' CD2' ' HG2' ' A' ' 60' ' ' GLU . 33.0 mt -79.55 -51.63 9.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -120.66 160.7 43.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.0 11.93 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.503 1.791 . . . . 0.0 110.981 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.592 ' CE1' ' O ' ' A' ' 15' ' ' GLU . 39.1 t80 -126.29 156.31 40.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.592 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -126.19 148.97 49.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.55 126.55 31.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -40.06 78.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -147.91 -176.05 5.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -72.7 91.78 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.631 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 169.54 -34.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.485 ' OE2' ' CZ ' ' A' ' 14' ' ' PHE . 2.9 mt-10 -85.7 167.11 15.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.3 ttp -109.23 145.23 36.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 p -114.25 118.2 33.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.045 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.445 ' CD1' ' HB1' ' A' ' 10' ' ' ALA . 31.7 p90 -141.42 164.53 29.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -121.16 141.38 50.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.9 p -40.57 139.36 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.6 44.99 7.04 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.554 1.159 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -141.14 126.7 18.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.2 mm -79.72 125.32 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 26.1 mt -110.9 127.06 68.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -81.51 87.35 6.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.763 HG21 ' CD1' ' A' ' 8' ' ' TYR . 24.2 t -67.92 122.03 18.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.12 79.75 4.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -47.66 -30.39 3.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -54.58 -61.39 2.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.993 HG21 ' CD2' ' A' ' 44' ' ' TYR . 15.9 m -50.81 130.18 24.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 110.383 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.3 p -122.55 162.35 22.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.78 -99.22 0.14 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.132 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 6.5 mm-40 -69.36 162.15 68.44 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.784 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -79.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.65 60.28 3.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.417 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 89.6 m95 -147.39 121.87 9.73 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 0.3 OUTLIER -94.37 146.78 23.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.993 ' CD2' HG21 ' A' ' 36' ' ' THR . 33.5 t80 -127.25 110.2 12.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -127.6 176.2 18.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.6 p -119.11 114.9 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.451 ' CG ' ' N ' ' A' ' 48' ' ' GLN . 29.1 t80 -114.32 172.27 7.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.451 ' N ' ' CG ' ' A' ' 47' ' ' PHE . 2.0 mt-30 -34.94 105.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 36.05 34.47 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.509 1.131 . . . . 0.0 110.957 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 76.0 m-20 -141.12 123.42 15.74 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 0.78 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -139.62 117.69 11.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.97 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.73 -169.78 27.71 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -106.1 174.47 5.87 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.625 ' CE1' HG21 ' A' ' 59' ' ' VAL . 4.6 p90 -174.8 159.74 2.41 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 57' ' ' ASN . 18.3 Cg_endo -75.01 128.72 11.7 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.435 1.755 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 29.2 p -67.58 72.41 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 108.271 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.452 ' N ' ' O ' ' A' ' 55' ' ' PRO . 62.4 t30 -153.04 -46.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.437 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 69.7 m-85 -73.31 -1.71 19.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.625 HG21 ' CE1' ' A' ' 54' ' ' PHE . 35.3 m -122.44 -178.19 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HG2' ' CD2' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -160.16 102.49 1.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -45.45 130.38 8.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.118 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 1.2 mtm -108.86 161.94 21.83 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 145.31 31.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.2 t -161.95 76.68 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.004 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.5 p -156.05 89.85 1.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.03 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -176.54 154.25 1.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -150.5 116.0 5.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -165.59 56.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -85.5 138.43 32.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.27 78.37 5.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 71' ' ' VAL . 12.9 p -105.43 62.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.55 89.61 10.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.03 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 104.64 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -88.3 168.44 12.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.36 139.51 49.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.23 166.95 28.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.37 127.61 17.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 mt -113.74 130.5 23.73 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 171.56 18.07 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.495 1.787 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 132.51 15.57 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.3 t -163.14 153.39 16.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.6 p -154.4 135.48 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.2 m -123.71 154.66 39.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.84 168.68 18.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.62 165.03 33.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -128.38 172.92 10.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.2 t -161.39 163.98 30.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.68 173.16 10.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 110.046 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.21 152.6 23.91 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -176.61 2.97 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 0.0 111.035 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.52 162.96 6.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.2 158.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -178.8 -59.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 0.752 . . . . 0.0 109.982 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.86 -61.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.61 108.61 1.27 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.85 144.63 49.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.763 . . . . 0.0 110.032 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 m -151.88 175.52 12.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.979 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.9 137.53 6.39 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -124.15 140.22 53.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.6 ttp85 -96.57 126.19 41.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.61 120.75 13.97 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.9 mt -78.66 -49.11 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -125.66 156.01 71.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 25' ' ' ASN . 18.4 Cg_endo -74.99 108.5 2.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.445 1.76 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.455 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 4.6 t80 -119.42 139.08 52.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 111.034 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -116.4 149.54 39.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.354 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.4 172.97 2.86 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.35 -35.96 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -50.96 -60.22 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 173.95 -65.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.601 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -114.64 54.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.32 165.04 11.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.9 ttm -99.54 156.07 17.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 p -119.86 120.64 37.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -149.73 175.36 11.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 2.0 m-80 -126.12 162.4 25.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.2 p -62.29 134.31 56.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.428 1.08 . . . . 0.0 109.974 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.31 46.93 5.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -139.35 123.4 17.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 0.743 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.5 mm -74.51 121.79 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.1 mt -107.21 112.9 41.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.05 87.32 1.37 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.256 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.2 t -74.56 144.08 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.96 95.71 5.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -37.21 62.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.25 -57.63 5.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.567 HG21 ' CD2' ' A' ' 44' ' ' TYR . 18.8 m -54.67 132.55 45.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 110.368 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.96 155.06 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.4 -103.57 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.421 ' CB ' ' HB2' ' A' ' 42' ' ' TRP . 6.6 mm-40 -57.44 163.96 3.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.324 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -82.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.514 1.797 . . . . 0.0 111.057 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.92 59.82 3.54 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.454 ' C ' HD22 ' A' ' 43' ' ' LEU . 93.4 m95 -148.35 119.82 7.93 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.601 ' HB2' ' CZ ' ' A' ' 54' ' ' PHE . 0.5 OUTLIER -97.33 162.3 13.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.567 ' CD2' HG21 ' A' ' 36' ' ' THR . 38.6 t80 -133.75 114.55 13.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.01 174.98 20.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.444 1.09 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.0 m -117.29 114.95 24.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 110.023 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.5 ' CZ ' ' NE2' ' A' ' 48' ' ' GLN . 40.3 t80 -114.45 171.88 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.5 ' NE2' ' CZ ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -34.83 106.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 36.0 35.53 0.1 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 48' ' ' GLN . 75.1 m-20 -142.39 120.73 12.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -136.36 110.88 8.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -163.73 -170.07 28.11 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.402 ' HA ' ' O ' ' A' ' 43' ' ' LEU . 52.8 m95 -94.28 174.19 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 43' ' ' LEU . 4.3 p90 -173.53 159.11 3.17 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 58' ' ' TYR . 18.2 Cg_endo -75.03 126.02 9.68 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.458 ' HB3' ' CD2' ' A' ' 43' ' ' LEU . 11.8 p -63.74 -16.75 61.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -75.06 -14.47 60.59 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.575 ' CD1' ' HG2' ' A' ' 55' ' ' PRO . 6.0 m-85 -102.26 28.27 6.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.503 ' CG1' ' O ' ' A' ' 58' ' ' TYR . 33.4 m -157.33 161.72 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.97 92.26 3.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -42.13 101.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.348 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 24.9 ptm -75.86 158.86 82.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 179.71 5.82 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.522 1.801 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.8 m -106.09 75.81 1.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.3 p -138.52 141.75 39.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.975 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -101.02 -52.02 3.39 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.0 t30 173.47 151.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -78.68 170.71 16.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -134.09 88.38 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -120.5 68.31 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -78.41 142.55 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.8 m -106.84 147.2 34.61 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.57 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -51.35 174.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -118.49 163.26 17.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -84.59 83.99 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.4 174.19 10.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.36 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 79' ' ' PRO . 3.2 pp -68.46 154.14 94.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . 18.3 Cg_endo -75.01 149.6 36.89 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.51 1.795 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 79' ' ' PRO . 18.3 Cg_endo -74.98 -175.59 2.44 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.485 1.782 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 33.2 m -121.22 136.61 54.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.9 m -109.48 173.53 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.6 p -148.1 176.17 10.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.59 161.37 13.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.5 p -168.37 164.48 12.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -174.0 142.51 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.2 p -107.53 -174.96 2.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.369 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 m -166.46 162.69 17.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.994 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -165.52 129.74 2.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -175.92 2.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.0 170.84 20.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.74 170.57 15.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 110.006 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.53 1.144 . . . . 0.0 110.954 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.79 -57.47 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.767 . . . . 0.0 110.025 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 46.26 80.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.03 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.43 -71.62 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.51 1.131 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.32 163.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.7 -63.37 1.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.1 . . . . 0.0 110.004 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.49 137.86 2.36 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.527 ' CD1' HG21 ' A' ' 32' ' ' VAL . 27.7 m-85 -140.35 146.23 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.3 ttp85 -102.07 142.11 33.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.62 109.11 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 47.2 mt -61.7 -58.58 7.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -124.18 160.5 52.12 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 127.9 11.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.417 1.746 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -136.82 141.18 42.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 2.9 mt-10 -101.66 145.06 29.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.8 121.5 6.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.39 -37.97 12.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -90.26 -168.37 2.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -90.8 -31.03 16.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.613 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.89 41.68 2.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.51 159.84 14.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.458 ' CE ' HD13 ' A' ' 30' ' ' ILE . 0.5 OUTLIER -99.44 138.25 36.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.997 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 p -106.94 132.89 52.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.991 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -155.93 176.05 13.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 111.058 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -137.33 153.22 50.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.6 p -51.09 135.02 26.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.21 50.72 3.35 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE . 77.2 m-20 -148.66 117.53 6.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 0.777 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.7 mm -73.5 123.76 29.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.458 HD13 ' CE ' ' A' ' 22' ' ' MET . 17.5 mt -108.71 150.18 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -104.27 98.16 8.0 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' A' ' 8' ' ' TYR . 55.1 t -84.21 139.88 16.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.56 92.92 3.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -53.42 -32.6 50.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.35 -51.13 71.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.666 HG21 ' CD2' ' A' ' 44' ' ' TYR . 32.4 m -50.81 145.59 6.88 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 110.379 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.653 HG23 ' HH2' ' A' ' 53' ' ' TRP . 35.3 m -57.49 166.64 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.86 132.33 1.59 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.459 1.1 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.61 168.76 0.45 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 1.08 8.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.46 1.769 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.17 16.97 5.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.461 1.101 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -131.88 154.79 48.84 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.511 ' O ' ' CE2' ' A' ' 54' ' ' PHE . 30.2 mt -138.96 125.36 20.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.666 ' CD2' HG21 ' A' ' 36' ' ' THR . 50.5 t80 -103.99 144.38 31.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -154.36 171.1 32.87 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -129.34 118.35 22.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 109.986 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 48' ' ' GLN . 22.5 t80 -118.0 172.2 7.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.085 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' PHE . 2.3 mt-30 -35.16 110.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' GLN . . . 35.67 37.05 0.13 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.443 1.089 . . . . 0.0 110.98 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -143.16 112.82 6.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -135.31 113.35 11.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' CA ' ' HB2' ' A' ' 22' ' ' MET . . . -157.97 -170.6 22.91 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.653 ' HH2' HG23 ' A' ' 37' ' ' VAL . 36.3 m95 -107.04 149.41 27.61 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CE2' ' O ' ' A' ' 43' ' ' LEU . 48.7 p90 -145.67 159.95 45.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.162 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.2 23.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 29.2 p -75.67 69.41 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 108.323 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.2 t30 -151.7 -46.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.347 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.482 ' O ' HG13 ' A' ' 59' ' ' VAL . 78.8 m-85 -85.24 45.51 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 58' ' ' TYR . 30.0 m -155.4 165.0 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.07 117.77 7.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -52.2 121.31 6.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.6 mmm -100.83 162.09 21.75 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 140.02 25.09 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.1 t -126.09 95.56 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.87 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 53.99 80.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 40.82 89.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.78 106.67 1.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.86 123.96 43.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.29 136.08 35.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.4 t -93.38 143.91 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 73.2 m -78.77 142.82 61.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.87 13.77 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.72 170.7 8.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.05 120.48 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.45 174.83 11.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 tt -94.39 151.37 19.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -139.47 154.45 71.59 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 163.1 35.94 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 175.45 11.23 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.55 1.816 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.2 p -127.0 176.86 7.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.443 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.85 176.33 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.246 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 m -134.57 169.59 17.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.989 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.62 ' C ' HD23 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -123.13 154.37 38.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.418 ' N ' HD23 ' A' ' 84' ' ' LEU . 92.2 p -178.15 151.45 0.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.038 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -175.94 157.24 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.0 t -172.98 153.61 2.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.391 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.07 168.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.989 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -146.29 126.81 2.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.553 1.158 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -179.45 5.01 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.91 135.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.17 170.45 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 -179.937 . . . . . . . . 0 0 . 1 stop_ save_