data_1wg6_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 1wg6 _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 ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -136.25 140.85 43.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 mt -117.79 150.2 39.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.499 ' CG2' ' NE2' ' A' ' 115' ' ' GLN . 12.4 m -124.92 108.29 11.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 1.3 mm? -107.76 137.69 45.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.52 123.62 50.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.3 mp -121.83 121.0 28.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.462 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.4 Cg_endo -74.99 138.23 22.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 20.1 mt -117.25 49.97 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.442 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 60.0 m-80 -80.69 -61.4 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.86 -33.77 15.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -76.01 -44.52 39.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.951 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -39.68 -44.5 2.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 m -38.08 -58.42 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.94 -45.03 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.28 -176.03 27.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.455 ' CD2' HG21 ' A' ' 114' ' ' ILE . 29.2 mt -44.95 -62.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.69 13.87 12.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.468 HG13 ' CB ' ' A' ' 68' ' ' ALA . 5.7 m -123.07 155.27 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 0.759 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.44 ' C ' ' CD2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -112.28 144.07 42.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.943 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.467 ' HB2' ' CE ' ' A' ' 97' ' ' MET . 3.2 mt -121.19 163.98 17.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.96 139.52 46.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.28 139.91 14.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.3 130.56 55.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.88 148.62 36.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.95 129.85 54.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -87.86 -26.9 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -63.5 -29.09 70.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.8 p -108.23 -36.49 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.355 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.89 22.13 53.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 54' ' ' ASP . 1.2 t -122.54 -164.22 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 0.773 . . . . 0.0 110.411 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.44 ' N ' ' CG2' ' A' ' 53' ' ' THR . 0.1 OUTLIER -114.52 104.25 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -42.3 -39.98 2.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.67 -150.77 21.29 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.487 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 23.9 mm -117.37 143.16 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.488 ' CZ ' ' CD ' ' A' ' 79' ' ' GLN . 6.4 m-85 -140.39 141.14 35.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.428 HG23 ' N ' ' A' ' 60' ' ' LYS . 39.1 mt -54.25 145.38 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.428 ' N ' HG23 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -99.68 -48.44 4.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.0 139.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.04 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.3 mp -85.63 139.82 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.1 mp -96.63 101.17 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.588 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 1.5 m80 -53.1 -175.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.583 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 47.07 26.58 3.12 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.26 -155.06 8.55 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.93 -51.05 5.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 0.804 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.468 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -58.99 -31.67 68.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 6.5 t80 -36.86 -42.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -51.2 -50.98 58.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -86.07 -13.0 48.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -43.31 -24.12 0.32 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 71' ' ' ASP . 1.6 ptm180 -37.84 -29.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 110.275 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' GLY . 25.2 mt -67.45 -174.03 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.85 143.04 46.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -49.13 173.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.62 19.82 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.67 95.14 9.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.488 ' CD ' ' CZ ' ' A' ' 58' ' ' PHE . 32.2 tt0 -52.17 131.97 32.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 88' ' ' LEU . 6.9 mp -97.52 93.39 6.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.469 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 21.0 pt -73.74 -4.17 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 178.07 -176.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -171.87 114.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.61 20.46 9.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.62 -8.34 68.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.92 131.01 36.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.34 155.77 40.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 80' ' ' LEU . 65.4 mt -125.97 -44.15 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 81' ' ' ILE . 3.2 mt -48.55 -40.72 28.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.36 -25.98 63.47 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 88' ' ' LEU . 7.7 mttt -97.99 -174.72 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -103.2 -174.57 2.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -60.21 -52.23 66.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.432 ' CD2' ' H ' ' A' ' 95' ' ' GLU . 7.2 p-80 -61.92 -71.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.625 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 98' ' ' GLU . 8.4 mt-10 -38.39 -64.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -39.91 -69.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 33.6 mmm -49.43 -28.22 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -73.24 -28.63 62.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -74.06 -42.87 59.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.5 tp -45.84 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -33.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -62.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.2 m -59.0 -28.83 66.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.472 ' HG3' ' CD1' ' A' ' 114' ' ' ILE . 26.6 mtp -66.0 -35.23 80.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.4 -21.15 17.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.06 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.521 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -84.33 -57.68 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 4.4 mm-40 -72.01 -40.12 68.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.492 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -67.73 -7.0 46.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.41 ' ND2' HG21 ' A' ' 110' ' ' ILE . 5.6 t30 -88.98 -66.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.766 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 106' ' ' MET . 0.3 OUTLIER -76.8 -39.42 30.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -87.18 -70.7 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.492 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 111.01 9.61 22.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.462 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 9.6 mtm -143.85 165.51 27.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 111.051 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 104' ' ' MET . 11.6 tt -138.16 136.43 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.499 ' NE2' ' CG2' ' A' ' 26' ' ' THR . 17.5 tt0 -103.79 141.19 36.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.9 mt -121.43 118.59 29.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 18.9 t -103.44 114.8 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 pp -111.14 162.48 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -132.47 121.74 23.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -127.74 141.73 51.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.1 mt -123.75 126.48 46.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.446 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 6.2 m -102.55 105.67 16.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 110.346 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -100.23 141.21 33.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -118.38 120.45 37.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.2 mt -119.64 119.9 31.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.467 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -75.0 148.0 34.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.465 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 51.1 mt -123.96 40.54 3.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 1.1 p30 -61.29 -63.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.3 -25.37 15.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.5 t -72.97 -43.91 61.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.465 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -37.68 -40.1 0.67 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -38.41 -64.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 109.972 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.87 -29.28 16.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 126.7 179.13 15.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.472 HD22 ' CG2' ' A' ' 114' ' ' ILE . 18.6 mt -39.4 -70.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.85 32.19 1.94 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.477 HG11 ' CB ' ' A' ' 68' ' ' ALA . 3.2 m -131.53 152.31 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.84 138.96 48.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.447 ' CD1' HD22 ' A' ' 80' ' ' LEU . 2.4 mt -114.43 157.31 23.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.49 136.45 53.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.18 135.83 13.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.95 134.92 54.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -131.74 149.18 52.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.82 132.98 56.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -38.05 20.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.39 -65.59 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.227 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.1 p -75.37 -18.34 59.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.06 35.31 83.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 m -122.15 168.57 11.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.361 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -94.21 107.44 19.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 74.2 mt -52.75 -31.12 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.72 -134.61 9.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 12.6 mm -128.78 147.01 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.541 ' CZ ' ' CD ' ' A' ' 79' ' ' GLN . 11.1 m-85 -141.85 132.47 25.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 60' ' ' LYS . 23.0 mt -50.45 145.55 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.425 ' N ' HG22 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -100.24 -53.74 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.4 145.05 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.2 mp -88.36 135.65 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.8 mp -90.98 106.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -57.91 -178.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.64 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 47.78 33.84 10.0 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -138.0 -160.33 8.46 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.15 -50.0 8.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.477 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . -58.79 -36.54 74.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 68' ' ' ALA . 21.0 t80 -35.85 -43.53 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -52.32 -54.03 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 73' ' ' ARG . 4.0 t70 -80.43 -12.87 59.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -39.67 -27.24 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 71' ' ' ASP . 13.0 ptt180 -37.49 -30.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 72' ' ' GLY . 17.2 mt -62.33 177.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -124.73 132.32 53.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -46.45 173.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 67.48 26.48 8.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -89.83 96.87 10.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.541 ' CD ' ' CZ ' ' A' ' 58' ' ' PHE . 30.2 tt0 -51.84 139.68 21.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.447 ' CB ' HD12 ' A' ' 88' ' ' LEU . 4.0 mp -101.94 112.52 25.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 21.3 pt -94.9 7.32 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 163.08 166.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.4 p -152.03 121.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 107' ' ' GLU . 0.5 OUTLIER 57.54 18.6 4.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.86 -18.5 49.78 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.461 1.1 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -69.19 161.6 28.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.27 138.39 39.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.447 HD12 ' CB ' ' A' ' 80' ' ' LEU . 89.3 mt -114.28 -37.86 4.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.0 mt -60.17 -37.02 78.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.74 -27.76 73.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -87.75 -141.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.74 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.06 -150.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.987 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -80.9 -54.71 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.468 ' CD2' ' HG2' ' A' ' 95' ' ' GLU . 13.5 p-80 -64.57 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.468 ' HG2' ' CD2' ' A' ' 94' ' ' HIS . 2.6 mt-10 -36.02 -69.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 95' ' ' GLU . . . -37.15 -66.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.1 mmt -47.94 -43.37 29.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.427 ' OE2' ' NE ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -62.74 -20.91 65.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.431 ' O ' ' CB ' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -91.27 -51.77 5.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.439 ' HG ' ' CE ' ' A' ' 104' ' ' MET . 8.6 tp -39.73 -71.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -50.05 -29.7 9.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 99' ' ' THR . 3.1 ttp85 -64.9 -59.51 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 107' ' ' GLU . 32.9 p -53.59 -34.54 58.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.44 ' SD ' ' CD1' ' A' ' 39' ' ' LEU . 16.2 mtt -59.17 -34.36 72.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.467 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.6 OUTLIER -96.67 -41.72 8.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.462 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -75.9 -61.07 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 7.7 mm-40 -71.33 -13.95 62.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.44 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.39 -5.39 60.44 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.445 1.09 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 105' ' ' SER . 4.2 m-20 -90.16 -55.96 3.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.498 HG12 ' N ' ' A' ' 111' ' ' ARG . 0.3 OUTLIER -75.98 -41.56 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -83.98 -71.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.334 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 119.34 9.71 8.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.467 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 11.2 ptp -158.69 174.41 15.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.472 ' CG2' HD22 ' A' ' 39' ' ' LEU . 7.4 tt -136.41 151.03 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.446 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 11.1 tt0 -115.61 152.73 32.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.243 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.415 ' N ' ' HG2' ' A' ' 115' ' ' GLN . 67.1 mt -131.71 123.67 28.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.428 ' CG1' HD13 ' A' ' 81' ' ' ILE . 6.1 t -104.98 113.72 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -109.04 164.44 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -139.67 129.05 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.82 140.44 49.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.9 mt -126.69 114.63 18.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.436 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 19.4 m -100.23 111.65 23.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.417 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -113.86 125.78 54.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.14 135.96 41.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -126.23 122.16 24.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.442 ' HB2' ' ND2' ' A' ' 32' ' ' ASN . 18.4 Cg_endo -74.93 146.79 33.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.6 mt -126.81 51.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.442 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 18.1 m-80 -92.18 -62.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.54 -48.36 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -76.48 -20.91 56.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' SER . . . -36.6 -39.46 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m -52.78 -57.32 10.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.75 -53.16 6.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 34' ' ' SER . . . 129.86 -174.26 19.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.478 ' CD2' ' CG2' ' A' ' 114' ' ' ILE . 29.8 mt -40.44 -69.07 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.81 53.25 1.55 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.477 HG11 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -144.11 154.95 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.3 t -115.22 133.05 56.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.403 ' HB2' ' CE ' ' A' ' 97' ' ' MET . 2.8 mt -116.38 176.49 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -136.45 143.64 43.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.19 118.73 6.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.473 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 1.2 t-20 -96.85 132.03 43.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -121.85 153.9 37.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.75 145.99 43.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.04 -47.98 7.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.06 -66.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.5 t -67.64 -20.1 65.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.26 31.96 70.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.153 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -140.05 153.25 46.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.391 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.92 135.55 56.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.0 mt -77.05 -45.45 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.84 -133.32 3.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.9 mm -134.4 143.41 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 0.735 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 46' ' ' ASN . 26.9 m-85 -135.9 132.13 36.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 60' ' ' LYS . 39.2 mt -59.46 146.81 9.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.423 ' N ' HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -99.32 -53.01 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 p -173.62 164.84 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.6 mp -108.75 127.2 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.0 mp -87.11 112.47 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -65.75 165.29 12.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.608 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.495 ' N ' ' CG ' ' A' ' 64' ' ' HIS . . . 71.01 13.37 72.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.88 -161.08 11.3 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.7 -38.79 17.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.477 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . -65.03 -32.69 74.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -42.34 -40.61 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -56.75 -42.58 79.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 73' ' ' ARG . 17.4 t0 -88.23 -13.51 40.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -37.67 -29.85 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 71' ' ' ASP . 9.3 ptm180 -38.14 -30.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' GLY . 33.9 mt -64.33 -175.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -134.8 128.75 33.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.419 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -43.46 167.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 70.52 22.8 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -89.7 101.28 13.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.415 ' HG3' ' CE1' ' A' ' 58' ' ' PHE . 17.3 tt0 -55.78 134.74 51.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.442 ' CB ' HD13 ' A' ' 88' ' ' LEU . 1.6 mp -93.65 131.62 38.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.52 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 23.2 pt -116.64 7.95 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 162.26 159.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.475 ' O ' ' CG ' ' A' ' 84' ' ' ASN . 1.4 p -147.1 120.34 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.547 ' ND2' ' CB ' ' A' ' 103' ' ' SER . 10.8 p30 49.35 22.73 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 83' ' ' VAL . . . 106.68 -28.1 14.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' VAL . 3.5 mm-40 -63.2 142.38 58.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.79 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.406 ' O ' ' CE ' ' A' ' 91' ' ' LYS . 0.4 OUTLIER -93.6 141.16 28.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.442 HD13 ' CB ' ' A' ' 80' ' ' LEU . 70.7 mt -114.58 -39.81 3.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 81' ' ' ILE . 5.3 mt -51.05 -53.26 35.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.26 -27.43 52.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.406 ' CE ' ' O ' ' A' ' 87' ' ' THR . 6.3 mttm -88.89 -153.14 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.451 ' HG ' ' N ' ' A' ' 93' ' ' ASN . 58.1 p -132.83 -150.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.451 ' N ' ' HG ' ' A' ' 92' ' ' SER . 62.7 m-20 -80.48 -51.99 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -66.0 -67.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.602 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 96' ' ' ALA . 9.0 mt-10 -39.23 -65.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -39.29 -69.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.403 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 11.0 mmt -44.56 -50.72 9.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -29.14 57.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -81.04 -51.68 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.1 tp -39.68 -66.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -54.13 -34.39 60.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -57.26 -51.78 67.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.547 ' CB ' ' ND2' ' A' ' 84' ' ' ASN . 23.9 m -60.3 -40.49 90.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.402 ' SD ' ' CD1' ' A' ' 39' ' ' LEU . 13.7 mtt -54.86 -28.18 48.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.6 t -97.11 -40.16 8.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.412 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -80.34 -64.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 3.1 mm-40 -60.3 -13.5 13.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.423 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -93.68 -7.54 61.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -93.53 -59.54 1.99 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -74.62 -39.52 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -95.32 -72.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.423 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 112.27 23.66 5.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -162.81 172.43 15.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 0.8 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.478 ' CG2' ' CD2' ' A' ' 39' ' ' LEU . 18.7 tt -142.74 137.04 27.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.436 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 20.9 tt0 -105.66 154.97 19.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.6 mt -130.97 126.65 36.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 6.3 t -109.67 110.26 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -104.2 163.44 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -138.26 136.52 36.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.409 ' O ' HD12 ' A' ' 119' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -138.76 144.43 39.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.421 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 23.7 mt -121.14 152.9 38.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.3 m -133.39 114.3 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -107.28 150.97 26.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.13 125.53 48.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.9 mt -123.01 117.42 28.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.475 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -75.01 142.71 28.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.0 mt -119.32 37.47 4.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 66.6 m-80 -64.27 -63.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.29 -30.11 13.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.445 ' OG ' ' CB ' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -75.34 -19.23 59.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.88 -27.33 50.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -50.13 -58.08 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 110.036 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.25 -45.71 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 132.13 -170.53 21.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.469 HD22 ' CG2' ' A' ' 114' ' ' ILE . 26.5 mt -40.17 -66.17 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.7 56.04 1.37 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.476 ' HA ' ' CD1' ' A' ' 63' ' ' ILE . 2.9 m -145.78 154.0 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 1.4 p -99.86 133.64 43.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.477 ' CD1' ' HE3' ' A' ' 97' ' ' MET . 5.1 mt -124.06 179.42 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.76 145.68 27.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.93 109.0 2.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -85.92 138.85 31.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -129.17 150.1 50.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.3 133.02 55.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -90.54 -44.89 9.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -62.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.6 p -70.19 -42.76 71.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.364 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.39 33.04 7.82 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 t -132.27 -162.22 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 110.423 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.69 117.82 31.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 74.6 mt -55.88 -30.74 62.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.37 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.37 -152.0 19.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.606 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 37.2 mm -111.49 164.17 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 88.0 m-85 -161.04 136.98 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.0 mt -69.25 147.51 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 42' ' ' SER . 4.7 ttpt -96.2 -54.99 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.95 161.57 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.954 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.8 mp -101.54 140.99 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 41' ' ' VAL . 3.5 mp -97.07 105.35 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.415 ' ND1' ' CE1' ' A' ' 69' ' ' PHE . 5.9 m-70 -57.98 -179.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.631 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.07 35.04 4.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.33 -152.06 5.74 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.445 ' CB ' ' OG ' ' A' ' 34' ' ' SER . . . -87.55 -59.61 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.471 ' CB ' HG12 ' A' ' 41' ' ' VAL . . . -52.86 -33.43 49.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.415 ' CE1' ' ND1' ' A' ' 64' ' ' HIS . 5.8 t80 -37.04 -44.19 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -55.39 -51.51 66.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' ARG . 0.6 OUTLIER -78.08 -12.66 60.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . -36.72 -30.87 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.046 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASP . 8.2 ptp180 -38.97 -29.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' GLY . 13.5 mt -64.85 177.14 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -128.3 125.65 39.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 75' ' ' ARG . 1.7 ptt? -43.11 167.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.61 7.51 4.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.78 93.43 2.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -44.21 135.23 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 57' ' ' ILE . 6.5 mp -97.1 103.44 15.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.443 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 35.7 pt -88.37 4.78 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 168.08 171.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.466 ' CG2' HD11 ' A' ' 114' ' ' ILE . 3.1 p -161.61 120.86 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 56.71 18.4 3.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.75 -16.86 54.18 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -69.18 162.33 27.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.95 135.73 50.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.419 ' CD1' ' HB3' ' A' ' 80' ' ' LEU . 40.8 mt -112.64 -33.75 6.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.443 ' CD2' ' HA ' ' A' ' 81' ' ' ILE . 3.5 mt -62.15 -26.36 68.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.53 -29.28 49.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -95.05 -161.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.01 -159.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -73.72 -49.71 24.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.408 ' CD2' ' H ' ' A' ' 95' ' ' GLU . 9.7 p-80 -63.92 -68.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.648 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 99' ' ' THR . 10.2 mt-10 -38.11 -67.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -40.07 -71.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.477 ' HE3' ' CD1' ' A' ' 43' ' ' LEU . 15.5 mmt -42.13 -49.91 4.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -59.79 -34.88 73.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -75.41 -37.8 60.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.442 HD11 ' CG2' ' A' ' 83' ' ' VAL . 7.7 tp -51.8 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 102' ' ' ARG . 1.3 ptt85 -56.23 -46.02 79.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.459 ' N ' ' CG ' ' A' ' 101' ' ' ARG . 19.3 ttt180 -52.52 -43.27 65.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 107' ' ' GLU . 3.1 m -62.76 -44.69 95.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.479 ' HG3' ' CD1' ' A' ' 114' ' ' ILE . 11.9 mtt -52.1 -29.57 22.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.2 OUTLIER -96.97 -57.02 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.008 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -59.08 3.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 103' ' ' SER . 19.7 mm-40 -67.81 -21.73 65.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -95.92 -8.59 57.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 105' ' ' SER . 2.1 t30 -80.09 -44.86 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.441 ' CD1' ' HA ' ' A' ' 107' ' ' GLU . 0.2 OUTLIER -80.97 -36.2 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -87.69 -71.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 125.37 6.15 6.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.475 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 1.9 ptt? -157.97 -170.96 3.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 0.74 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 104' ' ' MET . 15.9 tt -147.43 164.5 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.49 ' CG ' ' N ' ' A' ' 116' ' ' LEU . 8.3 tt0 -129.95 159.53 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.329 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.49 ' N ' ' CG ' ' A' ' 115' ' ' GLN . 51.2 mt -133.18 122.14 23.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.5 t -107.08 108.68 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.1 pp -104.37 151.49 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.36 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 120' ' ' ARG . 0.2 OUTLIER -123.42 114.28 19.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.417 ' N ' HD12 ' A' ' 119' ' ' LEU . 18.2 ttp85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -138.0 143.9 40.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.42 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 26.3 mt -122.96 140.97 52.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.504 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 29.9 m -125.15 106.78 10.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.465 ' CB ' ' OD1' ' A' ' 71' ' ' ASP . 0.9 OUTLIER -113.5 123.03 49.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -84.08 142.9 30.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.466 HD11 ' CB ' ' A' ' 71' ' ' ASP . 83.0 mt -131.4 116.24 16.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.469 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.1 Cg_endo -75.04 130.46 13.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.979 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.464 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 15.6 mt -113.65 55.65 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.432 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 48.1 m-80 -87.08 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -87.04 -37.9 17.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.13 -45.11 43.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.464 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -39.98 -37.67 1.06 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -51.4 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.39 -38.39 10.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.66 177.8 15.21 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.401 ' CD2' HG22 ' A' ' 114' ' ' ILE . 26.8 mt -40.21 -71.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.12 40.17 1.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.467 HG11 ' CB ' ' A' ' 68' ' ' ALA . 2.6 m -142.92 157.22 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 t -113.57 138.94 49.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mt -115.51 176.23 5.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -139.04 141.97 38.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.45 123.67 7.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -105.51 142.84 34.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.798 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -125.85 148.84 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.08 137.23 50.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.39 -52.69 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -41.15 -67.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p -68.71 -45.67 70.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.98 48.51 3.11 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.4 m -150.47 161.91 41.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 110.401 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.75 109.93 14.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.235 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.442 ' O ' ' NE2' ' A' ' 79' ' ' GLN . 68.1 mt -46.55 -41.9 15.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.74 -164.78 26.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 93' ' ' ASN . 45.8 mm -98.84 133.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -125.09 128.16 48.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 60' ' ' LYS . 53.4 mt -52.68 147.56 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 76' ' ' MET . 1.9 ttpt -100.29 -56.14 2.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 p -173.67 152.68 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.442 ' CG1' ' HA2' ' A' ' 72' ' ' GLY . 2.0 mp -98.2 132.1 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.5 mp -84.76 153.78 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -103.04 152.6 21.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.616 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.11 16.78 60.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.68 -164.79 10.65 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.75 -44.41 20.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.467 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . -48.66 -46.35 40.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 69' ' ' PHE . 1.7 t80 -37.38 -44.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -53.63 -50.78 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.466 ' CB ' HD11 ' A' ' 29' ' ' ILE . 34.5 t70 -80.5 -13.1 59.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . -43.05 -25.24 0.35 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 71' ' ' ASP . 12.7 ptp180 -41.4 -27.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.727 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.438 ' N ' ' C ' ' A' ' 72' ' ' GLY . 24.1 mt -69.9 174.93 4.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 76' ' ' MET . 6.7 mmt85 -122.42 128.06 50.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.442 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -39.98 161.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 111.008 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 76' ' ' MET . 1.1 m-20 75.12 39.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.449 ' HB3' ' CG2' ' A' ' 118' ' ' ILE . 4.9 m-20 -104.6 92.01 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 55' ' ' LEU . 12.1 tt0 -45.59 128.15 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.453 ' CB ' HD13 ' A' ' 88' ' ' LEU . 4.7 mp -89.97 88.01 7.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.462 HD13 ' CG1' ' A' ' 117' ' ' VAL . 27.1 pt -66.52 -10.7 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -177.2 -178.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -165.63 116.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.94 20.35 12.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.09 -9.57 65.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -87.57 139.15 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.27 149.28 35.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.453 HD13 ' CB ' ' A' ' 80' ' ' LEU . 57.4 mt -121.66 -44.03 2.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 81' ' ' ILE . 2.7 mt -51.07 -41.2 59.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.1 -29.88 45.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -97.76 -165.86 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.744 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 58.9 m -110.01 -176.43 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.461 ' HA ' ' CD1' ' A' ' 57' ' ' ILE . 54.8 m-20 -57.68 -47.91 80.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.455 ' CD2' ' H ' ' A' ' 95' ' ' GLU . 7.3 p-80 -64.23 -73.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.611 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 98' ' ' GLU . 13.4 mt-10 -38.04 -64.07 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.99 -69.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 17.5 mmm -47.85 -31.52 5.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -68.14 -33.58 74.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 96' ' ' ALA . 1.1 m -69.09 -46.2 68.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.4 tp -43.94 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -43.07 -37.01 1.82 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -58.3 9.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 107' ' ' GLU . 8.3 p -61.32 -38.29 86.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.04 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.486 ' HG3' ' CD1' ' A' ' 114' ' ' ILE . 37.9 mtp -57.87 -29.41 65.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.419 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 2.4 t -96.36 -32.81 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.969 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.481 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -86.7 -68.92 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 5.5 mm-40 -53.82 -20.62 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.464 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -94.74 -7.23 60.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 105' ' ' SER . 3.6 m-20 -91.96 -56.15 3.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 106' ' ' MET . 0.3 OUTLIER -77.64 -40.19 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -95.75 -73.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.464 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 116.57 13.38 8.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 2.1 mtp -140.47 172.31 12.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.486 ' CD1' ' HG3' ' A' ' 104' ' ' MET . 15.6 tt -147.91 140.14 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.504 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 13.8 tt0 -109.49 148.41 31.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.406 ' N ' ' HG2' ' A' ' 115' ' ' GLN . 78.4 mt -128.45 117.66 21.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.462 ' CG1' HD13 ' A' ' 81' ' ' ILE . 25.5 t -102.31 109.95 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' A' ' 78' ' ' ASP . 1.8 pp -103.54 160.24 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -125.44 124.06 40.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -145.73 144.58 30.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.425 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 21.7 mt -119.96 138.58 53.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.455 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 3.4 m -107.81 106.18 16.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -99.85 132.03 45.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -115.0 117.53 30.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -117.37 122.1 31.41 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.489 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.2 Cg_endo -75.03 145.71 31.67 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.436 1.756 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.2 mt -122.81 37.49 4.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 59.7 m-80 -66.74 -63.23 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -94.95 -28.52 15.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -75.04 -35.1 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -42.75 -38.05 3.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -39.02 -63.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.024 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.17 -22.49 18.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 112.82 -175.54 16.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.466 HD22 ' CG2' ' A' ' 114' ' ' ILE . 17.9 mt -39.72 -67.11 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.69 47.27 1.4 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.609 ' CG1' ' CB ' ' A' ' 68' ' ' ALA . 3.3 m -141.72 157.51 20.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.432 ' C ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -115.83 139.77 49.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.448 ' HB2' ' CE ' ' A' ' 97' ' ' MET . 3.1 mt -119.52 177.2 5.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.52 175.89 8.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.71 129.36 5.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.32 123.73 49.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -110.78 139.92 45.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.426 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -104.4 133.65 48.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -31.12 24.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.87 -54.04 51.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.6 p -86.64 -3.53 59.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.46 39.82 37.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.125 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.2 t -140.48 -151.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -114.07 150.45 33.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.1 mt -91.49 -39.75 11.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.06 -160.93 28.25 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.499 ' CD1' ' OD1' ' A' ' 93' ' ' ASN . 12.4 mm -115.54 132.67 64.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -123.34 131.6 53.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 78' ' ' ASP . 53.1 mt -46.55 146.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.432 ' N ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -99.28 -57.42 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 p -176.86 130.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.21 141.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.2 mp -94.0 96.84 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.75 153.86 31.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.595 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.01 7.78 80.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.431 1.082 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.89 -147.2 6.51 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 69' ' ' PHE . . . -85.64 -62.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.609 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . -43.16 -27.94 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.411 ' N ' ' C ' ' A' ' 67' ' ' ALA . 12.6 t80 -48.12 -48.56 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -44.61 -72.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 73' ' ' ARG . 0.6 OUTLIER -66.01 -11.84 50.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -44.41 -21.81 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.43 ' N ' ' C ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -36.55 -31.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.314 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 72' ' ' GLY . 28.2 mt -69.56 -171.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -138.38 150.81 46.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 2.5 ptm -49.94 160.51 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 76' ' ' MET . 4.7 m-20 79.33 50.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.442 ' HB2' ' CD1' ' A' ' 59' ' ' ILE . 5.1 m-20 -118.28 95.88 5.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -52.95 134.41 37.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HB3' ' CD1' ' A' ' 88' ' ' LEU . 6.0 mp -98.6 93.51 6.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.434 HD11 ' CG1' ' A' ' 117' ' ' VAL . 16.5 pt -73.42 -4.45 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 175.37 -172.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.463 ' CG2' HD13 ' A' ' 100' ' ' LEU . 2.6 p -176.95 123.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.19 19.56 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.24 -9.18 69.8 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -90.16 131.84 35.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.53 155.54 39.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 80' ' ' LEU . 71.0 mt -124.01 -43.79 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.432 ' CD2' ' HA ' ' A' ' 81' ' ' ILE . 2.9 mt -51.39 -43.89 62.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.4 -32.16 60.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -89.35 -158.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -114.55 -172.33 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.976 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.499 ' OD1' ' CD1' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -68.93 -31.39 70.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 13.6 p-80 -79.86 -67.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' ALA . 8.7 mt-10 -42.34 -62.82 0.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 95' ' ' GLU . . . -39.89 -72.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.448 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 43.3 mmm -46.36 -44.99 17.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -60.27 -32.38 71.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.406 ' N ' ' HG3' ' A' ' 98' ' ' GLU . 0.9 OUTLIER -73.7 -38.45 64.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.37 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.463 HD13 ' CG2' ' A' ' 83' ' ' VAL . 8.8 tp -51.15 -71.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.459 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 0.0 OUTLIER -47.84 -23.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 106' ' ' MET . 8.6 ttt85 -78.1 -58.88 3.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 41.8 m -58.51 -14.2 7.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 101' ' ' ARG . 15.2 mtt -68.82 -56.56 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.4 OUTLIER -97.61 -33.21 11.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.028 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -68.34 -54.57 16.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 103' ' ' SER . 3.8 mm-40 -85.33 -17.96 35.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 112' ' ' GLY . . . -93.6 -8.54 60.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 105' ' ' SER . 2.1 m-20 -68.32 -47.44 67.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -87.36 -32.44 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -81.2 -63.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 108' ' ' GLY . . . 111.29 14.57 11.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.489 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -168.54 -174.2 2.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 0.0 111.006 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.466 ' CG2' HD22 ' A' ' 39' ' ' LEU . 9.5 tt -143.36 154.78 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.455 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 11.6 tt0 -120.11 147.44 44.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.2 mt -126.31 118.66 25.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.434 ' CG1' HD11 ' A' ' 81' ' ' ILE . 20.1 t -103.21 114.83 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.6 pp -109.13 161.91 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -125.38 131.0 53.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.516 ' NE2' ' CG1' ' A' ' 117' ' ' VAL . 7.2 tt0 -131.59 144.99 51.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 29.0 mt -139.95 130.72 25.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.501 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 17.0 m -110.49 103.31 11.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 1.3 mm? -108.02 119.42 39.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -94.93 141.29 28.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.7 mt -129.34 127.54 23.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.48 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -75.03 145.23 31.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.4 mt -124.22 38.69 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.441 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 44.5 m-80 -70.41 -63.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.24 -30.66 18.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.71 -33.44 60.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -37.57 -41.4 0.82 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -39.97 -62.12 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.3 -43.75 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 134.67 -171.46 22.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.486 ' CD2' ' CG2' ' A' ' 114' ' ' ILE . 19.5 mt -39.67 -66.49 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.25 40.46 1.65 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.474 HG12 ' CB ' ' A' ' 68' ' ' ALA . 3.0 m -146.7 153.13 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.435 ' C ' ' CD2' ' A' ' 43' ' ' LEU . 17.7 t -111.92 150.66 30.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.435 ' CD2' ' C ' ' A' ' 42' ' ' SER . 2.7 mt -118.44 168.19 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.692 ' HZ1' ' ND2' ' A' ' 77' ' ' ASN . 1.4 pttt -127.96 142.68 51.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.16 138.24 13.94 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -123.96 129.61 51.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -120.99 147.89 44.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.63 135.05 52.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.996 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -88.16 -38.2 15.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 75.3 p -75.86 -42.4 49.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.43 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.63 47.23 4.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.437 1.086 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.3 m -143.85 166.64 24.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 0.726 . . . . 0.0 110.426 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -89.9 103.92 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.7 mt -48.26 -45.73 34.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.15 -140.09 8.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.4 mm -120.58 146.75 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 79' ' ' GLN . 26.5 m-85 -137.44 124.16 21.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.445 HG23 ' N ' ' A' ' 60' ' ' LYS . 13.5 mt -40.87 145.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.445 ' N ' HG23 ' A' ' 59' ' ' ILE . 1.3 ttmm -100.15 -53.32 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 80.0 p -174.4 157.74 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.2 mp -104.59 127.58 58.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.0 mp -86.98 113.19 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -64.79 166.85 8.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.57 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.02 23.04 76.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.46 -165.08 11.48 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.81 -37.22 24.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.474 ' CB ' HG12 ' A' ' 41' ' ' VAL . . . -66.46 -36.33 82.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -39.69 -40.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -53.44 -46.87 70.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' ALA . 19.0 t0 -88.76 -13.15 40.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -40.36 -27.01 0.14 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -39.43 -28.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 110.324 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' GLY . 30.4 mt -63.76 -175.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -131.88 131.8 43.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.433 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -45.49 172.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.692 ' ND2' ' HZ1' ' A' ' 44' ' ' LYS . 1.2 m-20 69.35 24.22 5.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -89.47 103.08 15.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.505 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 57.7 tt0 -54.13 135.06 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 88' ' ' LEU . 6.2 mp -97.93 100.13 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 14.7 pt -86.99 7.73 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 163.58 176.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.462 ' CG2' ' CD1' ' A' ' 100' ' ' LEU . 2.4 p -169.89 116.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 68.54 11.84 8.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.78 -14.6 56.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -82.87 132.68 35.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.75 157.5 37.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.386 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 80' ' ' LEU . 93.1 mt -127.66 -45.33 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.3 mt -51.41 -44.1 62.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.32 -27.14 65.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -91.25 -172.45 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.52 172.39 6.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -56.55 -29.7 62.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -80.68 -71.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -41.65 -59.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -40.0 -71.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.1 mmm -47.53 -42.0 22.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -30.45 71.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.4 -39.9 52.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.4 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.472 ' HG ' ' CE ' ' A' ' 104' ' ' MET . 14.4 tp -49.17 -71.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.403 ' N ' ' HE2' ' A' ' 104' ' ' MET . 10.1 ptp180 -43.74 -26.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 106' ' ' MET . 0.0 OUTLIER -78.94 -56.49 4.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 17.2 m -56.89 -13.55 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.958 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.472 ' CE ' ' HG ' ' A' ' 100' ' ' LEU . 18.9 mtt -72.2 -59.13 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 109' ' ' ASN . 21.1 m -98.49 -39.12 8.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.523 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -58.95 -42.54 90.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 103' ' ' SER . 10.0 mm-40 -98.29 -21.56 16.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 104' ' ' MET . . . -89.46 -9.56 66.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 106' ' ' MET . 6.3 p30 -66.37 -43.9 84.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.47 ' N ' ' OD1' ' A' ' 109' ' ' ASN . 0.2 OUTLIER -96.77 -36.01 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.41 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 2.9 tpt85 -73.18 -54.67 7.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.0 20.2 19.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.48 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 15.6 ptt? -179.36 171.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.486 ' CG2' ' CD2' ' A' ' 39' ' ' LEU . 15.5 tt -129.97 159.01 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.501 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 13.0 tt0 -124.1 149.43 46.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.401 ' N ' ' HG2' ' A' ' 115' ' ' GLN . 72.4 mt -128.09 121.83 30.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.516 ' CG1' ' NE2' ' A' ' 24' ' ' GLN . 3.9 t -104.82 111.52 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.1 pp -104.88 152.13 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.433 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 3.4 tm? -136.57 119.98 16.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.3 139.24 53.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.4 mt -116.88 143.45 45.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.479 ' CG2' ' NE2' ' A' ' 115' ' ' GLN . 38.3 m -121.88 112.09 17.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.442 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 1.6 mm? -107.65 139.14 42.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -107.97 110.62 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.9 mt -110.55 115.28 54.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -74.98 144.04 29.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' CD2' HD22 ' A' ' 39' ' ' LEU . 16.6 mt -127.51 56.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 10.3 m-80 -92.61 -62.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -84.44 -43.09 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.436 ' CB ' ' HB2' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -75.85 -29.33 58.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -46.39 -42.54 13.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' GLY . 25.3 t -38.32 -48.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.66 -36.8 12.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.33 -169.35 19.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 31' ' ' LEU . 28.3 mt -48.18 -68.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.797 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.91 42.69 2.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.461 HG11 ' CB ' ' A' ' 68' ' ' ALA . 3.0 m -141.83 154.52 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.21 136.18 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.465 ' HB2' ' CE ' ' A' ' 97' ' ' MET . 3.3 mt -117.39 175.72 5.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.493 ' CD ' ' HB2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -125.92 175.85 7.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.88 110.18 0.68 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -98.66 148.6 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.4 148.89 50.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.18 119.23 38.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -87.74 -33.5 18.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -21.03 43.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 p -123.57 -41.72 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.45 16.73 26.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 m -109.55 168.13 9.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.378 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.07 116.52 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.6 mt -54.56 -40.64 68.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.69 -139.3 8.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.112 . . . . 0.0 111.051 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.3 mm -135.05 142.37 40.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.576 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 1.3 m-85 -133.18 145.06 50.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 60' ' ' LYS . 42.3 mt -63.18 146.5 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.419 ' N ' HG22 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -97.19 -56.83 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.86 142.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.33 137.7 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.2 mp -91.17 156.63 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.413 ' CD2' ' N ' ' A' ' 64' ' ' HIS . 0.2 OUTLIER -107.66 142.61 37.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.4 15.79 42.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -129.67 -155.57 8.49 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 34' ' ' SER . . . -90.34 -36.19 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 0.73 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.461 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . -61.89 -42.03 98.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -38.57 -44.23 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -58.08 -48.5 79.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 73' ' ' ARG . 22.2 t70 -77.02 -13.15 59.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -37.44 -30.06 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.122 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' ASP . 7.1 ptt180 -37.46 -31.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 72' ' ' GLY . 30.7 mt -66.55 -172.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.44 ' O ' ' CD ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -139.52 130.43 26.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.466 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.5 OUTLIER -44.11 167.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 76' ' ' MET . 2.2 m120 79.67 3.36 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.45 94.54 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -49.91 137.1 17.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.448 ' CB ' HD13 ' A' ' 88' ' ' LEU . 4.6 mp -96.78 93.25 6.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.457 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 16.1 pt -77.61 -1.76 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 172.74 177.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.483 ' CG2' HD11 ' A' ' 114' ' ' ILE . 2.1 p -169.93 119.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.05 19.46 11.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.28 -9.08 75.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -85.79 144.45 27.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.264 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.65 152.82 29.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.448 HD13 ' CB ' ' A' ' 80' ' ' LEU . 82.9 mt -125.46 -45.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.349 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' A' ' 81' ' ' ILE . 3.1 mt -52.16 -48.39 64.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.56 -23.73 44.24 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -93.0 -170.21 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 0.803 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.6 m -105.56 -178.63 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -64.58 -28.5 69.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -84.17 -70.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.635 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 99' ' ' THR . 3.9 mt-10 -39.32 -58.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -42.6 -72.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 59.6 mmm -50.31 -33.48 20.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -70.91 -24.76 62.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -78.51 -37.14 43.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.352 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.1 tp -48.61 -66.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.4 ' HA ' ' SD ' ' A' ' 104' ' ' MET . 7.2 ptm180 -46.99 -38.55 10.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 13.0 mmt180 -65.35 -60.89 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 26.4 m -61.82 -12.75 18.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.486 ' HG3' ' CD1' ' A' ' 114' ' ' ILE . 27.1 mtp -82.31 -40.31 21.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.3 OUTLIER -98.03 -37.94 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.026 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.5 -66.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 111' ' ' ARG . 16.7 mm-40 -65.27 -21.27 66.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -93.94 -9.53 59.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 105' ' ' SER . 1.5 m-20 -72.29 -38.19 68.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 0.804 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.437 HG12 ' N ' ' A' ' 111' ' ' ARG . 0.2 OUTLIER -96.11 -36.01 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.437 ' N ' HG12 ' A' ' 110' ' ' ILE . 1.1 mmp_? -78.77 -56.24 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.0 9.89 44.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.472 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 2.6 ptt? -159.78 -174.0 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.486 ' CD1' ' HG3' ' A' ' 104' ' ' MET . 11.0 tt -145.33 151.68 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.479 ' NE2' ' CG2' ' A' ' 26' ' ' THR . 20.2 tt0 -117.43 141.08 48.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.0 mt -119.1 123.9 45.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 18.2 t -107.76 109.13 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.3 pp -106.82 143.31 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -116.9 126.88 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -143.08 136.47 28.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.5 mt -113.46 152.55 29.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.469 ' CG2' ' OE1' ' A' ' 115' ' ' GLN . 18.7 m -124.47 112.74 17.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -116.68 116.33 27.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.94 144.79 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.434 HG21 ' CD2' ' A' ' 39' ' ' LEU . 77.4 mt -135.18 121.34 14.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HB2' ' ND2' ' A' ' 32' ' ' ASN . 18.4 Cg_endo -74.95 144.67 30.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.3 mt -127.88 53.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.427 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 12.4 m-80 -89.97 -61.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -87.96 -44.5 10.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.62 -23.26 58.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.97 -38.33 46.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -39.05 -51.29 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 0.806 . . . . 0.0 110.038 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.2 -36.06 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.76 -177.53 16.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD21 ' CG2' ' A' ' 114' ' ' ILE . 21.6 mt -40.54 -68.68 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.3 37.66 3.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.539 ' CG1' ' CB ' ' A' ' 68' ' ' ALA . 4.2 m -128.72 151.3 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -111.02 137.14 49.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.031 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mt -115.74 164.21 14.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.33 136.67 53.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.66 125.81 8.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -108.36 115.37 29.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 48' ' ' SER . 1.5 tmtt? -113.05 142.66 45.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.413 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -96.09 136.23 36.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -91.27 -21.73 20.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.72 -48.41 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.8 p -116.44 -31.46 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.423 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.96 19.38 15.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -177.37 5.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.783 . . . . 0.0 110.367 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.66 107.57 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.4 mt -52.82 -33.05 47.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.05 -161.92 24.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.562 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 29.1 mm -101.24 160.19 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 87.3 m-85 -158.8 126.05 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 60' ' ' LYS . 43.6 mt -47.29 146.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.418 ' N ' HG22 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -102.88 -49.56 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.41 150.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.948 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.77 137.16 22.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 63' ' ' ILE . 2.2 mp -91.94 108.72 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -65.16 166.41 9.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.587 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.0 16.91 60.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.03 -155.42 9.41 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.13 -45.24 10.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.539 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . -60.87 -33.94 73.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -38.27 -42.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -54.69 -49.58 70.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' ARG . 44.9 t0 -81.36 -12.8 58.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -38.51 -28.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' ASP . 4.1 ttp180 -36.5 -32.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 72' ' ' GLY . 30.5 mt -64.06 -172.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.23 132.57 28.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER -38.87 159.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.98 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 76' ' ' MET . 1.8 m-20 77.42 49.08 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -112.47 97.02 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.458 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 44.1 tt0 -52.66 129.18 28.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 88' ' ' LEU . 7.0 mp -94.0 88.56 5.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.456 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 21.4 pt -66.5 -11.41 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 177.18 -175.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.417 ' CG1' HD12 ' A' ' 88' ' ' LEU . 2.6 p -164.84 120.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.407 ' ND2' ' HB2' ' A' ' 103' ' ' SER . 2.9 m-20 58.74 24.59 12.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.03 -8.24 76.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.85 123.66 33.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.27 166.53 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 80' ' ' LEU . 50.9 mt -141.55 -46.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 81' ' ' ILE . 3.3 mt -49.55 -36.92 25.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.42 -26.43 71.77 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 88' ' ' LEU . 6.5 mttt -90.35 -170.77 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.52 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -102.17 -169.93 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.971 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -72.87 -27.97 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 14.1 p-80 -84.95 -68.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.597 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.431 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 6.5 mt-10 -39.6 -63.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -39.71 -69.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 51.0 mmm -48.49 -31.2 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -70.29 -28.25 65.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 96' ' ' ALA . 3.0 m -75.51 -46.59 31.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.7 tp -47.95 -68.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.477 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 24.1 ptt180 -50.4 -21.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 106' ' ' MET . 3.6 ttt85 -77.09 -55.38 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -61.28 -13.11 16.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.969 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.477 ' CE ' ' HA ' ' A' ' 101' ' ' ARG . 14.1 mtt -72.12 -52.43 16.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.482 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.6 OUTLIER -97.11 -28.54 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.49 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -74.81 -61.72 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 111.023 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 111' ' ' ARG . 14.3 mt-10 -77.5 -37.4 51.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.5 -9.5 55.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.0 OUTLIER -70.9 -50.08 38.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.42 HG12 ' N ' ' A' ' 111' ' ' ARG . 0.3 OUTLIER -97.9 -35.83 5.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 107' ' ' GLU . 1.7 mmt180 -71.83 -47.59 52.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.25 11.03 73.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.33 176.52 9.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.467 ' CG2' HD21 ' A' ' 39' ' ' LEU . 16.2 tt -138.28 139.69 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.469 ' OE1' ' CG2' ' A' ' 26' ' ' THR . 2.1 tt0 -106.37 149.62 26.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' A' ' 115' ' ' GLN . 35.5 mt -131.0 123.04 27.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.7 t -103.59 120.07 53.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.6 pp -113.09 156.13 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -127.23 121.21 30.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.1 ttm-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.21 137.79 39.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 mt -126.31 144.78 50.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.479 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 84.9 m -125.79 109.43 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.42 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -113.76 121.25 43.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -90.7 144.73 25.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.511 ' CD1' ' CB ' ' A' ' 71' ' ' ASP . 43.8 mt -132.55 126.31 20.04 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.475 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -74.97 146.76 33.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.794 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.477 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 26.0 mt -125.07 37.93 4.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 1.4 p30 -64.43 -61.99 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.8 OUTLIER -97.59 -23.18 16.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 15.4 t -75.99 -51.33 12.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.477 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -36.98 -46.93 1.26 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -39.11 -51.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.025 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.87 -41.01 9.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.93 -178.28 18.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.512 ' CD1' ' SD ' ' A' ' 104' ' ' MET . 30.2 mt -42.56 -69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.29 12.56 17.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.465 HG12 ' CB ' ' A' ' 68' ' ' ALA . 2.7 m -120.93 156.81 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.424 ' C ' ' CD2' ' A' ' 43' ' ' LEU . 9.8 t -115.36 143.58 45.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.468 ' HB2' ' CE ' ' A' ' 97' ' ' MET . 2.7 mt -118.5 171.0 8.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.05 142.4 50.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.28 129.99 10.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -116.11 143.31 45.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 0.762 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.44 147.46 52.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.86 128.06 56.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.025 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -85.35 -45.99 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -48.02 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 48.1 p -63.47 -42.39 98.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.15 47.44 4.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.443 1.09 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.9 m -143.44 169.75 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -95.79 98.52 10.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' ASP . 79.7 mt -40.44 -38.31 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.15 -149.41 19.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.436 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 28.6 mm -116.57 146.86 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 0.725 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.439 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 6.1 m-85 -136.54 137.58 40.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 60' ' ' LYS . 43.3 mt -57.64 146.62 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.433 ' N ' HG23 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -96.16 -55.36 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.89 147.84 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.5 mp -88.11 135.43 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.8 mp -92.92 97.25 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.547 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -54.48 167.31 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.612 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.547 ' N ' ' CG ' ' A' ' 64' ' ' HIS . . . 66.79 19.36 69.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.52 -155.34 8.75 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.413 ' CB ' ' HB2' ' A' ' 34' ' ' SER . . . -85.88 -50.29 7.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.79 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.465 ' CB ' HG12 ' A' ' 41' ' ' VAL . . . -56.96 -33.04 66.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -38.03 -40.62 0.49 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -53.94 -50.28 66.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.511 ' CB ' ' CD1' ' A' ' 29' ' ' ILE . 27.9 t0 -81.85 -13.1 58.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -37.89 -29.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -37.11 -31.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.271 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' GLY . 25.2 mt -66.96 -172.49 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.465 ' CD ' ' N ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -138.59 139.05 38.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.417 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -47.15 175.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 61.37 33.53 18.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -99.64 92.16 5.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -45.73 131.95 8.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.261 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.454 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 5.4 mp -91.79 112.69 24.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 10.9 pt -97.63 11.81 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 162.13 177.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.456 ' CG2' HD11 ' A' ' 100' ' ' LEU . 2.7 p -166.0 115.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 107' ' ' GLU . 0.7 OUTLIER 66.8 10.97 7.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.25 -21.82 21.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 83' ' ' VAL . 1.6 tt0 -80.79 134.53 35.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.788 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.91 163.95 26.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.419 HD13 ' CB ' ' A' ' 80' ' ' LEU . 96.5 mt -130.42 -45.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.454 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 4.6 mt -46.37 -38.37 8.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.27 -37.05 93.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 88' ' ' LEU . 5.8 mttt -76.46 -177.18 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.534 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 1.9 m -104.75 173.69 6.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -49.15 -46.47 45.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 5.2 p-80 -68.1 -76.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.597 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.453 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 9.7 mt-10 -36.94 -58.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -36.16 -70.1 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 21.8 mmm -53.97 -33.4 56.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 95' ' ' GLU . 18.0 mm-40 -66.94 -40.53 87.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 95' ' ' GLU . 1.3 m -59.94 -35.47 75.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 83' ' ' VAL . 8.5 tp -56.43 -74.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -48.01 -30.31 4.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.485 ' C ' ' CD ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -63.66 -65.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -56.89 -35.44 68.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.512 ' SD ' ' CD1' ' A' ' 39' ' ' LEU . 29.2 mtp -57.39 -29.76 64.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.451 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 93.2 p -95.65 -41.99 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.405 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -84.44 -67.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 29.1 mm-40 -54.81 -23.25 17.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.427 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.07 -7.32 59.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.11 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.7 m-20 -86.3 -53.99 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -76.03 -39.01 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -82.87 -69.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 120.05 4.66 11.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.475 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 8.1 ptp -152.62 -171.17 3.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.489 ' CD1' ' HG3' ' A' ' 104' ' ' MET . 15.3 tt -147.18 163.61 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.479 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 10.1 tt0 -131.14 150.07 52.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 58.8 mt -127.79 126.84 42.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.5 t -112.33 111.01 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.4 pp -105.79 158.92 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -136.08 121.7 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -125.85 146.06 49.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.1 mt -140.25 140.88 35.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.413 ' CG2' ' NE2' ' A' ' 115' ' ' GLN . 88.6 m -122.9 113.38 19.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.422 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -110.47 141.97 42.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.23 126.53 54.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mt -122.87 122.25 27.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.0 Cg_endo -75.07 143.46 28.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.444 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 23.3 mt -120.31 39.87 3.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 1.4 p30 -62.47 -63.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.95 -25.7 14.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -72.94 -42.84 63.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.444 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -36.19 -38.61 0.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.0 t -39.68 -64.95 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.61 -21.52 18.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 115.72 -172.22 14.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD2' HG22 ' A' ' 114' ' ' ILE . 16.5 mt -38.85 -70.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.64 29.33 2.48 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.516 ' CG1' ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -122.71 158.01 27.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.07 128.89 56.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.477 ' HB2' ' CE ' ' A' ' 97' ' ' MET . 2.5 mt -114.62 173.11 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.72 139.93 29.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.62 129.62 9.97 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -107.79 135.11 49.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -124.37 147.77 47.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.82 140.57 48.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.13 . . . . 0.0 110.032 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -42.79 12.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.75 -60.3 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.4 p -89.86 -12.14 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.361 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.04 30.09 66.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.2 m -121.13 167.02 13.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.384 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.47 117.21 25.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -57.48 -30.97 65.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.36 -150.7 20.1 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.487 1.117 . . . . 0.0 111.048 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.547 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 50.1 mm -116.81 147.69 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 6.1 m-85 -143.68 149.03 36.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 60' ' ' LYS . 38.1 mt -72.82 147.11 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.423 ' N ' HG23 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -99.2 -53.76 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.79 149.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.021 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.6 mp -89.79 142.6 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.9 mp -94.45 145.95 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.478 ' CD2' ' N ' ' A' ' 65' ' ' GLY . 7.1 t60 -98.27 156.58 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.649 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.478 ' N ' ' CD2' ' A' ' 64' ' ' HIS . . . 79.29 15.1 80.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -131.07 -154.79 7.99 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.83 -59.07 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.516 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . -40.74 -44.48 2.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' ALA . 6.0 t80 -35.6 -46.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -54.14 -54.14 43.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 73' ' ' ARG . 29.5 t70 -75.13 -12.89 60.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -36.56 -31.29 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 71' ' ' ASP . 6.6 ptp180 -38.21 -30.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 110.266 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' GLY . 32.6 mt -64.61 -177.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -131.81 130.63 42.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.24 179.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 63.22 24.31 14.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.0 116.9 28.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -71.04 129.33 38.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 80' ' ' LEU . 7.4 mp -91.81 102.21 14.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 12.1 pt -82.34 3.87 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 163.69 177.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.462 ' CG2' HD13 ' A' ' 100' ' ' LEU . 2.5 p -161.65 122.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 60.31 16.01 5.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.0 -14.58 55.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -82.38 135.14 35.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.88 168.62 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 91' ' ' LYS . 24.8 mt -140.95 -47.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.9 mt -47.15 -39.51 13.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.2 -30.41 77.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 88' ' ' LEU . 7.4 mttt -87.7 -172.87 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.4 m -100.84 -173.76 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -69.86 -28.71 65.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -85.02 -66.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.629 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.4 mt-10 -41.88 -60.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -39.62 -70.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.477 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 42.1 mmm -46.44 -38.75 9.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -30.9 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -77.44 -50.12 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.361 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.462 HD13 ' CG2' ' A' ' 83' ' ' VAL . 8.5 tp -40.74 -73.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.472 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 36.4 ttp85 -45.95 -54.83 7.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.23 -42.15 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -67.2 -48.53 67.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.475 ' HG3' ' CD1' ' A' ' 114' ' ' ILE . 11.9 mtt -46.88 -27.46 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.468 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.3 OUTLIER -97.01 -36.48 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.496 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -72.92 -57.4 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 5.0 mm-40 -71.18 -40.31 71.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.479 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -67.57 -7.23 46.26 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 105' ' ' SER . 3.7 m-20 -87.91 -66.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 0.733 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 106' ' ' MET . 0.3 OUTLIER -78.16 -40.27 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -84.39 -70.97 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.479 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 109.4 8.97 26.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.477 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 2.3 mtm -143.72 165.55 27.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 104' ' ' MET . 7.1 tt -135.49 143.34 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.413 ' NE2' ' CG2' ' A' ' 26' ' ' THR . 18.8 tt0 -114.62 140.15 49.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 43.6 mt -122.1 121.12 36.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 15.9 t -101.97 113.51 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.3 pp -109.34 162.07 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -143.11 120.53 11.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.307 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.91 142.35 44.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.7 mt -123.58 125.66 45.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.504 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 16.1 m -104.28 104.2 14.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.411 ' N ' HD21 ' A' ' 27' ' ' LEU . 1.9 mm? -105.35 120.83 42.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -93.2 144.94 24.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.472 HG21 ' CD2' ' A' ' 39' ' ' LEU . 61.4 mt -137.56 120.36 11.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.458 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.4 Cg_endo -74.98 147.38 33.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.0 mt -128.48 49.79 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.449 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 27.8 m-80 -82.36 -62.34 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -87.19 -37.72 17.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.92 -28.87 60.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.03 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -43.36 -40.5 4.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' GLY . 7.7 t -38.79 -58.35 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.05 -38.39 11.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.33 -175.15 17.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.102 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 29' ' ' ILE . 26.8 mt -41.19 -69.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.84 53.52 1.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.446 1.092 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.406 ' CG1' ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -142.31 155.75 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.415 ' C ' ' CD2' ' A' ' 43' ' ' LEU . 2.5 t -115.69 135.58 53.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.415 ' CD2' ' C ' ' A' ' 42' ' ' SER . 2.6 mt -117.01 179.09 4.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -139.1 140.04 37.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.79 127.17 9.16 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -113.67 134.67 54.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -118.88 147.6 43.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.52 136.19 53.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.75 -39.55 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -45.93 -66.28 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.2 p -70.06 -24.86 63.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.01 22.45 63.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 54' ' ' ASP . 1.6 t -126.15 -162.45 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 110.44 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.437 ' N ' ' CG2' ' A' ' 53' ' ' THR . 0.4 OUTLIER -111.88 124.67 52.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.8 mt -54.13 -46.87 72.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.51 -140.44 9.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.436 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 19.7 mm -128.06 145.43 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.472 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 5.1 m-85 -136.72 140.0 42.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.438 HG21 ' N ' ' A' ' 60' ' ' LYS . 35.1 mt -65.57 146.54 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.438 ' N ' HG21 ' A' ' 59' ' ' ILE . 0.5 OUTLIER -96.04 -53.87 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.15 155.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.412 ' CG1' ' HA2' ' A' ' 72' ' ' GLY . 2.8 mp -94.4 138.85 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.8 mp -93.56 137.01 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -89.35 151.22 22.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.553 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.68 15.86 62.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.5 -161.25 9.9 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.35 -46.25 14.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 72' ' ' GLY . . . -50.13 -44.19 52.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' ALA . 4.3 t80 -36.34 -44.12 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -56.29 -53.59 55.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 73' ' ' ARG . 26.2 t0 -75.09 -13.13 60.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . -37.06 -31.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' ASP . 5.4 ptt180 -38.75 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' GLY . 27.4 mt -63.12 179.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.63 120.2 24.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -42.86 166.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 111.043 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 76' ' ' MET . 2.0 m120 82.01 -1.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.58 123.96 20.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -74.39 132.55 42.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 80' ' ' LEU . 7.1 mp -92.82 123.35 36.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 18.6 pt -113.39 7.62 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 165.52 171.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.431 ' CG2' HD12 ' A' ' 100' ' ' LEU . 4.0 p -164.28 119.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.414 ' ND2' ' HB2' ' A' ' 107' ' ' GLU . 1.0 OUTLIER 60.18 26.56 15.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.46 -2.19 82.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -84.09 162.55 20.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.55 139.57 41.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.0 mt -115.93 -38.37 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 81' ' ' ILE . 4.7 mt -55.87 -38.0 69.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.34 -23.58 74.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -95.85 -173.27 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -102.19 -178.56 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.138 . . . . 0.0 110.004 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -60.16 -38.49 83.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 9.0 p-80 -76.35 -73.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.649 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.452 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 11.3 mt-10 -37.15 -58.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -39.85 -72.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 96' ' ' ALA . 37.1 mmm -36.62 -50.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 1.1 mm-40 -53.43 -52.9 57.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -50.04 -23.01 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.431 HD12 ' CG2' ' A' ' 83' ' ' VAL . 11.9 tp -68.89 -73.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -51.63 -21.32 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 5.9 mmt180 -69.64 -67.26 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.5 m -49.16 -29.37 5.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 13.1 mtt -60.28 -44.2 95.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.446 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.4 OUTLIER -92.71 -16.09 25.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.03 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -58.46 2.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.567 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 5.4 mm-40 -74.48 -29.39 61.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.47 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -68.78 -6.98 53.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 105' ' ' SER . 10.4 m-20 -89.15 -67.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.451 HG12 ' N ' ' A' ' 111' ' ' ARG . 0.3 OUTLIER -75.98 -39.96 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.567 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.9 OUTLIER -86.51 -70.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.47 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 109.42 21.15 7.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.458 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 11.3 ptm -164.29 174.96 10.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.469 ' CG2' HD23 ' A' ' 39' ' ' LEU . 14.9 tt -137.96 158.02 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.504 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 9.1 tt0 -124.15 152.19 43.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.0 mt -126.8 130.66 50.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.6 t -114.9 112.36 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -111.29 156.69 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -122.98 129.34 51.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -123.24 138.78 54.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.474 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 24.8 mt -123.2 114.98 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.5 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 91.6 m -99.26 112.07 24.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -113.03 137.96 50.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -114.02 124.7 52.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.4 mt -115.61 127.51 26.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.443 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.1 Cg_endo -74.99 143.85 29.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.3 mt -119.02 35.92 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.427 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 65.6 m-80 -65.71 -62.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -96.52 -28.28 14.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -75.78 -30.4 59.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.14 -35.11 6.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.9 p -39.22 -69.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.037 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.34 -12.99 26.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.86 -174.64 18.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD11 ' CE ' ' A' ' 104' ' ' MET . 20.4 mt -40.46 -66.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 0.78 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.06 34.1 2.23 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.487 HG11 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -123.53 158.88 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.776 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.469 ' C ' ' CD2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -123.38 137.35 54.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.469 ' CD2' ' C ' ' A' ' 42' ' ' SER . 2.2 mt -118.79 160.22 22.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.42 136.41 50.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.85 134.35 13.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -116.7 118.92 33.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.99 149.92 34.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.57 140.38 49.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.988 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.21 -26.76 18.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -45.21 84.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.2 p -108.31 -9.5 15.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.04 28.73 58.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.2 m -112.85 169.48 8.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.382 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -96.36 111.6 23.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.93 -39.44 81.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.25 -149.22 20.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.455 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 50.1 mm -106.69 153.41 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 37.0 m-85 -146.01 142.99 29.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 78' ' ' ASP . 27.1 mt -58.86 146.24 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.474 ' N ' HG21 ' A' ' 59' ' ' ILE . 13.2 tttt -102.54 -50.6 3.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.47 ' HA ' ' CG ' ' A' ' 76' ' ' MET . 54.8 p 176.65 127.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.1 mp -70.03 132.55 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.1 mp -83.06 99.91 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -61.85 170.16 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.606 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.585 ' N ' ' CG ' ' A' ' 64' ' ' HIS . . . 54.85 24.62 34.4 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.25 -144.91 5.94 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.88 -62.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.487 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . -49.87 -34.12 19.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' ALA . 10.9 t80 -34.79 -39.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -54.7 -72.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 73' ' ' ARG . 10.1 t70 -67.07 -12.56 60.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -41.55 -25.31 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.436 ' N ' ' C ' ' A' ' 71' ' ' ASP . 8.0 ptm180 -38.45 -28.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 72' ' ' GLY . 25.9 mt -58.17 173.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 76' ' ' MET . 6.7 mtt180 -118.42 129.16 55.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.47 ' CG ' ' HA ' ' A' ' 61' ' ' SER . 2.6 mtm -45.5 174.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 68.28 35.5 3.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.487 ' HB3' ' CD1' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -98.56 122.85 42.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -81.66 114.08 20.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' CD2' HD11 ' A' ' 100' ' ' LEU . 5.9 mp -71.02 106.4 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 21.5 pt -90.96 3.5 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 166.88 168.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.5 p -160.92 125.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 59.39 17.41 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.63 -13.25 64.23 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.427 1.079 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -84.5 135.22 34.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.06 163.07 26.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 91' ' ' LYS . 83.5 mt -133.15 -46.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.9 mt -48.19 -40.79 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.71 -28.3 72.37 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' LEU . 9.1 mttm -90.75 -173.87 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.58 174.37 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.023 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -53.94 -40.41 66.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -71.14 -72.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.595 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -40.17 -60.26 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -40.45 -72.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.0 mmm -43.81 -49.46 8.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -56.75 -34.48 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.429 ' N ' ' HG3' ' A' ' 98' ' ' GLU . 0.9 OUTLIER -74.7 -27.99 60.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.468 HD11 ' CD2' ' A' ' 80' ' ' LEU . 10.2 tp -65.27 -71.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -53.75 -19.09 3.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 106' ' ' MET . 0.0 OUTLIER -77.75 -53.59 7.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.453 ' CA ' ' HB2' ' A' ' 107' ' ' GLU . 27.5 m -63.3 -12.17 27.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.467 ' CE ' HD11 ' A' ' 39' ' ' LEU . 22.3 mtt -71.67 -53.07 14.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.456 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.5 OUTLIER -97.42 -29.93 13.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.517 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -75.69 -58.23 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.453 ' HB2' ' CA ' ' A' ' 103' ' ' SER . 16.1 mt-10 -80.47 -20.22 44.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.11 -8.71 64.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.4 m-20 -69.56 -51.89 31.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 0.737 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.05 -34.67 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -79.0 -66.82 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.38 11.93 10.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.12 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.443 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 1.5 ptm -167.1 178.74 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.462 ' CG2' HD23 ' A' ' 39' ' ' LEU . 12.9 tt -138.36 150.64 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.5 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 19.5 tt0 -116.97 151.79 35.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 81.2 mt -131.23 132.87 44.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 10.4 t -112.35 108.47 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.474 ' CG1' ' HB2' ' A' ' 25' ' ' LEU . 1.6 pp -103.74 148.71 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -122.47 134.25 54.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -113.75 142.63 45.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.241 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.2 mt -132.55 129.94 39.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.3 m -114.23 108.31 16.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -115.91 125.65 52.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -89.86 147.04 24.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.263 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.47 ' CD1' ' OD2' ' A' ' 71' ' ' ASP . 68.9 mt -139.29 114.61 8.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -75.02 133.0 16.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.48 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 16.6 mt -111.89 52.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.412 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 69.4 m-80 -78.19 -63.18 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.97 -31.53 14.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -37.68 60.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -49.18 -37.61 24.18 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -38.76 -67.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 0.72 . . . . 0.0 109.964 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.99 -33.78 19.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 136.85 175.8 14.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.484 HD23 ' CG2' ' A' ' 114' ' ' ILE . 20.2 mt -40.31 -70.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.5 47.2 0.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.565 ' CG1' ' CB ' ' A' ' 68' ' ' ALA . 4.4 m -136.68 149.07 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.519 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -102.85 123.05 45.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.478 ' CB ' ' HE1' ' A' ' 97' ' ' MET . 13.8 mt -111.59 179.28 4.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -150.99 136.22 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.65 140.71 15.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -130.88 137.96 49.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.322 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.56 152.65 51.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.39 134.41 54.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.22 -47.43 7.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.62 -68.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.4 p -62.76 -42.66 99.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.24 37.61 5.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.41 167.72 21.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 110.413 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -93.84 109.48 21.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' ASP . 91.7 mt -40.22 -44.03 1.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.536 ' O ' ' CZ ' ' A' ' 58' ' ' PHE . . . 129.08 149.86 6.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.62 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 51.9 mm -55.55 148.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 57' ' ' ILE . 18.9 m-85 -144.01 126.49 15.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 60' ' ' LYS . 50.1 mt -61.59 147.02 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.1 tttp -95.27 -55.83 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -175.31 159.73 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.7 mp -100.02 139.39 21.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.429 ' CD1' ' HA ' ' A' ' 41' ' ' VAL . 3.4 mp -93.38 111.95 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -65.13 -177.42 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.601 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.24 29.49 3.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.8 -151.74 5.93 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.05 -63.62 1.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 0.756 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.565 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . -44.88 -31.96 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -42.5 -40.59 2.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -57.33 -42.63 82.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 73' ' ' ARG . 5.5 t0 -88.12 -12.42 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . -36.51 -30.9 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -38.98 -29.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' GLY . 30.6 mt -64.47 -178.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -133.37 126.59 31.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.409 ' O ' ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -42.0 165.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 76' ' ' MET . 5.4 m-20 75.71 17.02 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -79.41 115.79 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -70.63 115.76 10.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.434 ' HB3' ' CD1' ' A' ' 88' ' ' LEU . 7.8 mp -82.32 92.3 6.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.521 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 5.4 pt -71.4 -41.28 73.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -144.14 174.15 11.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.451 HG22 ' CD1' ' A' ' 100' ' ' LEU . 1.9 p -159.47 122.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.56 16.12 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.13 -18.25 42.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 53.3 mm-40 -65.73 159.33 25.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -106.98 127.77 53.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.348 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 80' ' ' LEU . 35.6 mt -103.62 -19.75 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.521 ' CD2' ' HA ' ' A' ' 81' ' ' ILE . 3.9 mt -55.34 -67.68 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.85 -23.63 5.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -91.34 -176.3 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -116.57 -155.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.974 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.466 ' HA ' ' CD1' ' A' ' 57' ' ' ILE . 6.6 m120 -71.12 -60.58 2.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -53.89 -69.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.606 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.6 mt-10 -38.15 -68.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -39.12 -68.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.478 ' HE1' ' CB ' ' A' ' 43' ' ' LEU . 11.6 mmt -47.75 -42.99 26.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.494 ' OE2' ' CZ ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -61.09 -30.85 70.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -77.41 -43.19 33.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.469 ' HG ' ' CE ' ' A' ' 104' ' ' MET . 8.1 tp -52.77 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.86 -27.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.494 ' CZ ' ' OE2' ' A' ' 98' ' ' GLU . 2.0 ttp180 -67.44 -61.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 107' ' ' GLU . 17.2 m -52.92 -33.0 48.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.469 ' CE ' ' HG ' ' A' ' 100' ' ' LEU . 16.8 mtt -57.52 -38.01 73.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.474 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 2.4 m -97.0 -26.6 14.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.469 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -87.18 -68.52 0.74 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 23.5 mm-40 -58.66 -23.05 58.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.321 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.475 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -89.89 -7.08 68.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.163 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.9 m-20 -89.84 -55.96 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.482 HG12 ' N ' ' A' ' 111' ' ' ARG . 0.3 OUTLIER -78.87 -40.86 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.6 OUTLIER -94.04 -73.85 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.475 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 117.64 13.44 7.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.472 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 2.7 mtp -142.85 166.85 23.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.484 ' CG2' HD23 ' A' ' 39' ' ' LEU . 18.2 tt -146.06 138.1 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -108.72 145.83 34.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.2 mt -123.76 121.1 34.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 45.6 t -104.65 111.82 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -105.74 154.43 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -137.14 118.97 15.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -145.66 143.93 30.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.42 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 53.3 mt -128.35 122.57 31.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.511 ' CG2' ' OE1' ' A' ' 115' ' ' GLN . 6.5 m -107.92 111.23 23.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.48 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -113.45 126.58 55.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 4.8 mp0 -101.02 145.14 29.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.0 mt -133.94 130.83 20.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.438 ' HB2' ' ND2' ' A' ' 32' ' ' ASN . 18.2 Cg_endo -74.99 148.53 35.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.6 mt -123.57 35.38 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.438 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 1.3 p30 -60.18 -63.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -97.01 -27.38 14.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 t -73.32 -32.55 64.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.39 -34.52 6.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.24 -58.67 2.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.12 -45.87 7.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.35 -152.54 24.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.462 ' CD2' HG22 ' A' ' 114' ' ' ILE . 19.2 mt -58.69 -66.42 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 0.763 . . . . 0.0 109.374 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.79 29.73 4.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.516 ' CG1' ' CB ' ' A' ' 68' ' ' ALA . 2.3 m -126.76 153.21 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.751 . . . . 0.0 109.357 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -103.08 128.03 50.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.506 ' HB2' ' CE ' ' A' ' 97' ' ' MET . 13.2 mt -114.91 -179.93 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.87 143.84 22.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.77 131.64 10.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.58 151.61 33.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -136.22 150.02 48.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.07 123.94 43.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -91.11 -28.32 17.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -52.02 67.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 p -86.89 -22.68 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.76 19.11 76.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.0 m -118.16 163.46 16.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.3 108.21 20.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.3 mt -41.53 -47.62 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.06 -142.15 13.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.548 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 34.6 mm -117.49 151.19 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 30.9 m-85 -150.74 143.15 24.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.487 HG21 ' N ' ' A' ' 60' ' ' LYS . 23.4 mt -67.17 149.55 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 76' ' ' MET . 12.6 tttt -105.21 -47.17 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.2 p 179.64 154.43 0.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.5 mp -96.92 139.16 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.0 mp -90.41 103.33 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -58.15 -173.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.621 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 41.32 35.98 1.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -141.79 -150.23 5.33 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.8 -64.09 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 0.809 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.516 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . -47.4 -32.92 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 68' ' ' ALA . 2.6 t80 -36.06 -39.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -53.67 -71.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 73' ' ' ARG . 8.4 t0 -66.13 -11.55 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -38.56 -27.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -36.71 -30.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.774 . . . . 0.0 110.349 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.9 mt -59.27 -174.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.46 127.96 21.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.523 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -43.29 167.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.96 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 76' ' ' MET . 3.2 m120 83.7 -5.25 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -70.95 94.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -50.97 139.45 17.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 80' ' ' LEU . 2.1 mp -93.23 104.94 17.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.429 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 30.6 pt -91.81 8.09 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 168.41 171.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.8 p -163.0 125.13 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.454 ' ND2' ' CB ' ' A' ' 107' ' ' GLU . 0.8 OUTLIER 55.28 26.14 8.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.14 -10.19 74.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 83' ' ' VAL . 35.0 tt0 -86.27 140.77 29.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.13 157.93 36.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.422 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.9 mt -128.66 -49.88 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.8 mt -47.92 -47.57 32.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.95 -32.27 56.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -84.46 -167.61 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 0.808 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.08 -168.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -72.04 -30.36 65.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -82.07 -69.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.573 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' THR . 4.2 mt-10 -39.68 -59.81 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -41.59 -72.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.506 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 15.2 mmt -49.09 -33.76 12.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -28.0 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -75.63 -41.75 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.386 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.9 tp -43.06 -72.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -48.7 -36.97 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -55.97 -54.86 39.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 107' ' ' GLU . 1.9 m -65.59 -38.73 90.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.488 ' HG3' ' CD1' ' A' ' 114' ' ' ILE . 20.3 mtp -60.45 -25.47 66.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.45 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.5 OUTLIER -96.83 -32.73 11.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.442 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -92.65 -68.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 3.2 mm-40 -54.3 -18.78 4.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.447 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.46 -5.79 60.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 105' ' ' SER . 4.0 m-20 -93.15 -56.63 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.479 HG12 ' N ' ' A' ' 111' ' ' ARG . 0.3 OUTLIER -74.98 -40.93 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -87.76 -71.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 121.15 9.72 7.16 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.453 1.096 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 5.4 ptm -156.02 173.12 17.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 0.815 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.488 ' CD1' ' HG3' ' A' ' 104' ' ' MET . 3.9 tt -133.52 148.44 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.511 ' OE1' ' CG2' ' A' ' 26' ' ' THR . 0.0 OUTLIER -111.34 147.18 35.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.5 mt -131.13 129.41 41.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.7 t -113.08 118.41 57.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -111.51 156.71 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -123.55 124.5 42.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.5 ttp85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.443 ' O ' ' CD2' ' A' ' 119' ' ' LEU . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.401 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -134.1 143.81 48.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.268 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.401 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 31.6 mt -126.01 147.97 49.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.497 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 86.8 m -133.08 112.68 11.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -114.68 124.74 52.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -88.02 142.73 27.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.421 ' CG2' ' CD2' ' A' ' 39' ' ' LEU . 55.8 mt -132.76 127.21 20.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.485 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -75.01 138.15 22.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.428 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 10.7 mt -118.31 36.36 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 1.3 p30 -62.22 -63.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -97.12 -29.03 13.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.6 OUTLIER -72.46 -36.09 68.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -45.06 -34.63 4.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m -39.83 -70.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.78 -12.14 27.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' SER . . . 112.81 -173.47 15.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.48 HD22 ' CG2' ' A' ' 114' ' ' ILE . 16.2 mt -40.45 -64.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.44 38.77 2.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.407 ' HA ' ' CD1' ' A' ' 63' ' ' ILE . 3.9 m -138.3 150.02 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.424 ' C ' ' CD2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -100.92 146.58 27.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.424 ' CD2' ' C ' ' A' ' 42' ' ' SER . 3.5 mt -121.03 168.75 11.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.23 152.37 44.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.4 131.22 9.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -113.04 132.64 55.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 0.797 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.79 148.24 43.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.58 137.72 54.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -90.93 -36.94 13.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -53.36 -56.33 17.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.7 p -77.24 -32.53 55.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.21 44.6 17.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.576 1.172 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.7 t -149.12 -167.21 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 110.398 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.41 109.29 21.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.5 mt -47.26 -47.8 24.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.07 -159.82 28.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.458 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 29.8 mm -114.05 143.03 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.756 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.51 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 2.8 m-85 -138.46 132.47 31.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.6 mt -50.56 146.76 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 76' ' ' MET . 1.2 tttt -100.06 -51.11 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.26 154.71 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.7 mp -99.49 138.97 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.407 ' CD1' ' HA ' ' A' ' 41' ' ' VAL . 3.7 mp -94.42 110.1 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -63.49 176.97 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 109.585 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 52.66 27.01 26.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.57 -155.53 7.51 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.34 -58.48 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -49.56 -35.78 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -38.27 -41.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -52.96 -50.53 63.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 73' ' ' ARG . 25.9 t0 -84.27 -13.24 53.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -36.81 -30.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' ASP . 12.5 ptm180 -38.13 -30.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' GLY . 24.5 mt -63.51 -178.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 76' ' ' MET . 2.8 mmm180 -131.52 130.1 41.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -42.93 167.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 76' ' ' MET . 4.4 m-20 82.85 0.21 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -65.56 101.03 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.54 130.7 47.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.405 ' HB3' ' CD1' ' A' ' 88' ' ' LEU . 7.1 mp -91.53 106.34 18.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.439 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 18.1 pt -89.61 2.75 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 166.24 -173.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.6 p -169.3 121.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 103' ' ' SER . 2.1 m-20 56.95 23.11 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.17 -11.93 65.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 83' ' ' VAL . 45.6 tt0 -81.32 142.3 33.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.1 160.93 23.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.433 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 80' ' ' LEU . 96.4 mt -134.47 -46.69 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 mt -48.71 -38.3 21.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.58 -33.01 85.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.446 ' NZ ' ' OG1' ' A' ' 99' ' ' THR . 4.0 mttt -79.25 -175.03 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 75.0 m -102.89 172.05 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -52.57 -32.48 41.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 95' ' ' GLU . 86.4 t60 -81.04 -75.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.623 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' GLU . 10.2 mt-10 -37.88 -52.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.95 -67.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 40.6 mmm -55.9 -27.4 51.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 95' ' ' GLU . 7.7 mm-40 -73.1 -39.74 65.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.446 ' OG1' ' NZ ' ' A' ' 91' ' ' LYS . 0.9 OUTLIER -59.36 -30.26 68.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.458 ' HG ' ' CE ' ' A' ' 104' ' ' MET . 11.1 tp -60.58 -71.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -44.15 -32.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 8.5 mmt-85 -65.1 -58.21 6.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.415 ' HB3' ' ND2' ' A' ' 84' ' ' ASN . 1.3 m -54.07 -31.85 52.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.458 ' CE ' ' HG ' ' A' ' 100' ' ' LEU . 23.8 mtt -63.48 -51.54 65.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.449 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 1.7 m -73.21 -20.59 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -59.35 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 9.9 mm-40 -73.48 -40.28 64.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.417 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -67.17 -7.57 45.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.5 m-20 -81.45 -58.9 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.528 HG12 ' N ' ' A' ' 111' ' ' ARG . 0.3 OUTLIER -96.74 -43.66 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.557 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -70.78 -71.93 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.417 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 109.64 7.98 27.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.485 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -140.93 -179.46 6.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.48 ' CG2' HD22 ' A' ' 39' ' ' LEU . 17.1 tt -148.48 136.42 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.497 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 11.1 tt0 -105.64 141.77 36.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.0 mt -124.68 117.72 24.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.4 t -97.14 122.02 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.6 pp -115.36 164.48 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.443 ' CD2' ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -132.6 127.52 35.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -129.64 142.25 50.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.7 mt -129.81 126.11 37.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.501 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 28.7 m -98.73 110.22 22.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -109.88 125.92 53.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -105.72 116.23 31.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 15.6 mm -110.91 126.21 29.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -74.98 142.14 27.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 39.2 mt -116.85 38.1 3.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -59.37 -63.39 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.56 -21.65 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' GLY . 2.5 t -74.51 -52.12 12.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.473 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -36.4 -44.93 0.9 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.51 -54.08 2.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.09 -38.16 11.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.12 -166.21 22.82 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' CD1' ' SD ' ' A' ' 104' ' ' MET . 26.5 mt -58.18 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.22 37.49 3.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.481 HG11 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -140.4 155.67 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.69 141.63 47.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -119.23 169.64 9.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.94 136.88 46.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.47 129.87 10.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -115.47 138.98 50.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 tttt -126.15 149.26 49.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.6 131.9 54.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.052 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -51.76 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -41.4 -57.6 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.9 p -80.44 -45.5 17.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.63 4.45 60.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.095 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 m -100.48 160.85 14.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.358 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.53 117.58 22.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.9 mt -54.37 -38.33 65.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.61 -147.81 19.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.4 mm -117.26 136.17 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 78' ' ' ASP . 7.3 m-85 -126.17 126.66 44.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.529 HG21 ' N ' ' A' ' 60' ' ' LYS . 17.9 mt -53.01 147.87 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.529 ' N ' HG21 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -99.67 -57.05 2.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 p -178.57 148.84 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.2 mp -90.76 132.79 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.8 mp -86.63 147.84 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.91 176.25 6.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.75 24.45 60.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.57 -159.16 8.27 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.69 -55.18 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.779 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.481 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . -47.05 -38.95 11.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -38.88 -47.44 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -56.59 -46.11 81.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 68' ' ' ALA . 2.3 t0 -77.7 -12.89 60.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -39.2 -27.82 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -39.22 -28.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.316 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 72' ' ' GLY . 21.8 mt -66.47 175.26 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -121.58 126.07 48.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -178.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 66.57 17.67 10.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.604 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -78.89 -158.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -145.2 108.82 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 6.5 mp -67.41 118.61 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 25.9 pt -106.38 5.64 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 164.64 174.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.403 ' CG2' HD11 ' A' ' 114' ' ' ILE . 2.5 p -163.5 119.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.402 ' ND2' ' HB3' ' A' ' 107' ' ' GLU . 0.6 OUTLIER 66.2 17.03 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.89 -13.44 62.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -82.18 143.11 31.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.28 159.11 30.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 55.9 mt -130.7 -45.85 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 3.4 mt -50.18 -40.04 45.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.58 -22.51 63.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.105 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -93.76 -164.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 3.9 m -111.69 -176.37 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -65.73 -22.28 66.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 4.8 p-80 -93.59 -74.03 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.634 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 94' ' ' HIS . 11.2 mt-10 -35.31 -45.69 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.89 -70.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 50.5 mmm -41.8 -36.94 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.18 -47.53 73.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 m -53.84 -33.3 55.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.8 tp -55.93 -73.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -50.03 -38.18 36.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -52.85 58.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.2 OUTLIER -68.33 -39.48 81.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.502 ' HG3' ' CD1' ' A' ' 114' ' ' ILE . 15.6 mtp -58.87 -26.17 63.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.8 p -95.67 -42.43 8.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.436 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -88.51 -67.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.513 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 4.7 mm-40 -54.31 -21.04 8.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.236 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.434 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.79 -6.37 59.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -89.68 -54.34 4.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -76.08 -40.3 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -84.5 -71.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 119.51 8.4 9.2 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.424 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 1.1 ptt? -156.92 174.44 15.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 0.794 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.502 ' CD1' ' HG3' ' A' ' 104' ' ' MET . 11.6 tt -137.02 147.85 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.501 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 6.6 tt0 -111.52 140.2 46.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 15.5 mt -121.58 119.01 30.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.455 ' CG1' HD12 ' A' ' 81' ' ' ILE . 21.1 t -102.87 112.25 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 pp -108.64 150.17 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -123.03 129.3 51.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.82 141.03 52.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.6 mt -135.7 119.49 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.474 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 1.9 m -101.11 107.31 18.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -109.93 128.61 55.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.09 143.09 34.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.501 ' CD1' ' HB2' ' A' ' 71' ' ' ASP . 7.7 mm -135.84 133.34 19.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.433 ' HB2' ' ND2' ' A' ' 32' ' ' ASN . 18.2 Cg_endo -75.02 149.6 36.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.568 1.825 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.434 ' CD2' HD21 ' A' ' 39' ' ' LEU . 24.5 mt -130.65 53.66 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 22.7 m-80 -87.15 -57.64 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.39 -40.18 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -28.36 59.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -46.84 -39.38 11.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' GLY . 2.5 m -38.78 -56.89 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.02 -25.77 17.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 117.6 -171.2 13.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.468 ' CD2' HG23 ' A' ' 114' ' ' ILE . 24.7 mt -39.06 -68.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.78 44.13 1.34 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.477 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -143.5 157.5 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 0.728 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.419 ' C ' ' CD2' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -112.02 140.08 46.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.987 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.419 ' CD2' ' C ' ' A' ' 42' ' ' SER . 2.9 mt -118.98 175.51 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HE2' ' ND2' ' A' ' 77' ' ' ASN . 33.5 pttt -135.97 139.28 43.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.44 117.9 6.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -101.87 134.93 44.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -132.36 148.28 52.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.91 137.36 51.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -89.93 -36.48 14.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.243 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.99 -56.52 21.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.7 p -78.42 -23.36 46.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.68 41.73 98.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.1 m -141.44 159.66 41.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.756 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.44 113.99 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 61.5 mt -58.46 -36.76 74.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.8 -165.87 24.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 93' ' ' ASN . 30.0 mm -104.8 146.32 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -137.27 140.55 41.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 60' ' ' LYS . 39.2 mt -65.42 146.9 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.409 ' N ' HG23 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -97.06 -56.29 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 p -177.74 147.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.6 mp -86.5 137.62 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 41' ' ' VAL . 3.6 mp -89.47 101.82 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.513 ' CD2' ' N ' ' A' ' 65' ' ' GLY . 7.1 t60 -64.97 155.33 34.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.587 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.513 ' N ' ' CD2' ' A' ' 64' ' ' HIS . . . 81.49 11.98 82.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.133 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.88 -150.54 7.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.48 -64.73 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.477 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -42.17 -34.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.475 ' CE1' ' ND1' ' A' ' 64' ' ' HIS . 6.8 t80 -38.11 -48.46 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -47.77 -71.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.501 ' HB2' ' CD1' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -63.33 -12.91 33.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . -37.37 -29.66 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.09 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.3 OUTLIER -39.48 -28.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 110.277 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.447 ' N ' ' C ' ' A' ' 72' ' ' GLY . 28.8 mt -65.19 171.34 3.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 76' ' ' MET . 1.6 mmt-85 -117.92 129.67 55.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.456 ' SD ' ' ND2' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -51.0 -175.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.456 ' ND2' ' SD ' ' A' ' 76' ' ' MET . 0.7 OUTLIER 60.97 14.54 5.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.4 127.31 32.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -79.84 130.91 35.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mp -87.19 97.04 10.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.434 HD13 ' CG1' ' A' ' 117' ' ' VAL . 21.9 pt -77.11 -4.91 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 168.33 172.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.537 ' CG2' ' ND2' ' A' ' 84' ' ' ASN . 5.7 p -159.15 136.36 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.537 ' ND2' ' CG2' ' A' ' 83' ' ' VAL . 2.1 p30 43.7 52.7 6.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.23 23.05 46.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.579 1.175 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 83' ' ' VAL . 20.7 tt0 -113.94 145.59 41.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -83.44 149.77 26.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.455 HD13 ' CG1' ' A' ' 83' ' ' VAL . 40.4 mt -127.28 -49.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.3 mt -50.73 -36.91 38.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.54 -29.18 63.45 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -99.57 -167.39 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.783 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 80.0 p -108.97 -179.04 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.413 ' HA ' ' CD1' ' A' ' 57' ' ' ILE . 88.8 m-20 -54.39 -48.29 71.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -62.73 -74.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.633 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' GLU . 8.5 mt-10 -39.76 -63.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.76 -68.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.1 mmm -46.46 -34.0 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -64.73 -32.03 73.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 96' ' ' ALA . 1.3 m -74.7 -46.32 38.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.471 HD13 ' CG2' ' A' ' 83' ' ' VAL . 8.1 tp -48.9 -67.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.481 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 52.0 ttp180 -50.08 -61.5 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.304 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -46.5 -35.85 6.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.511 ' CB ' ' ND2' ' A' ' 84' ' ' ASN . 0.4 OUTLIER -68.18 -34.63 76.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.481 ' CE ' ' HA ' ' A' ' 101' ' ' ARG . 20.6 mtt -64.92 -30.37 71.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.43 -13.21 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.498 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 3.6 mmt -95.78 -52.68 3.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.558 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 7.1 mm-40 -74.08 -43.99 55.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.486 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -68.67 -6.89 52.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -82.25 -57.87 3.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 106' ' ' MET . 0.3 OUTLIER -95.86 -41.57 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -76.34 -48.42 20.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.486 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 90.97 13.82 58.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 9.1 ptp -159.07 173.52 16.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.469 HD11 ' CG ' ' A' ' 104' ' ' MET . 18.0 tt -138.65 140.07 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.474 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 14.1 tt0 -99.43 153.06 19.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.42 ' N ' ' HG2' ' A' ' 115' ' ' GLN . 37.9 mt -137.6 118.56 14.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.434 ' CG1' HD13 ' A' ' 81' ' ' ILE . 5.0 t -101.16 123.86 54.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -118.16 151.46 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.48 116.37 17.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -125.55 147.58 49.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.5 mt -132.35 128.22 37.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.1 m -102.21 109.42 21.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -119.99 127.11 52.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -100.49 152.26 20.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -146.41 116.48 4.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.439 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.4 Cg_endo -74.98 149.31 36.63 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.452 1.764 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.46 ' CD1' HG21 ' A' ' 114' ' ' ILE . 17.4 mt -129.93 62.34 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -89.32 -62.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -92.54 -32.88 14.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 t -78.71 -30.21 45.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.031 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.61 -39.62 54.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.3 p -42.21 -49.89 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.003 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.1 -45.48 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 145.07 -176.26 24.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 38' ' ' GLY . 18.8 mt -40.33 -69.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.33 38.42 1.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.469 HG12 ' CB ' ' A' ' 68' ' ' ALA . 4.3 m -144.75 151.46 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 4.0 t -98.32 137.27 37.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.477 ' HB2' ' CE ' ' A' ' 97' ' ' MET . 6.3 mt -117.16 179.74 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.14 138.41 19.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.8 132.91 11.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.28 137.74 51.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -127.48 147.34 50.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.43 125.67 53.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -52.69 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.31 -65.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.5 p -68.42 -39.85 81.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.91 46.05 5.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.1 m -141.16 170.85 14.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.446 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.84 102.59 15.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -42.2 -38.18 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.16 -162.78 22.57 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.555 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 40.7 mm -108.16 148.18 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 4.4 m-85 -142.59 155.99 45.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 34.0 mt -81.08 147.79 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 42' ' ' SER . 4.1 ttpt -97.1 -53.06 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.53 168.38 3.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.8 mp -109.79 137.99 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 41' ' ' VAL . 2.6 mp -91.6 111.55 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.799 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 8.1 t-80 -72.46 148.31 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.468 ' N ' ' ND1' ' A' ' 64' ' ' HIS . . . 86.97 10.27 72.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.47 -147.87 7.94 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.84 -50.85 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' HG12 ' A' ' 41' ' ' VAL . . . -55.77 -35.81 66.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.799 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 3.8 t80 -36.99 -44.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -54.18 -53.23 56.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' ARG . 5.1 t0 -77.45 -12.8 60.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -37.1 -30.22 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASP . 9.9 ptm180 -38.12 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' GLY . 32.9 mt -63.44 177.8 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -128.73 124.1 34.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.511 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -42.64 166.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 76' ' ' MET . 1.9 m-20 83.27 -0.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.15 114.47 3.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 58' ' ' PHE . 7.8 tt0 -68.76 124.15 22.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.412 HD13 ' N ' ' A' ' 80' ' ' LEU . 8.3 mp -83.43 116.14 22.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.521 ' CB ' HD22 ' A' ' 89' ' ' LEU . 2.8 pt -104.51 -44.65 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.3 135.15 22.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -120.75 126.51 75.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.505 ' CG ' ' O ' ' A' ' 83' ' ' VAL . 16.7 p30 46.37 31.43 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.33 -28.86 10.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -56.54 131.19 47.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.79 . . . . 0.0 110.329 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.442 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -83.18 131.95 35.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.372 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 59.7 mt -111.27 -23.98 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.521 HD22 ' CB ' ' A' ' 81' ' ' ILE . 6.7 mt -49.23 -67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -50.9 -32.15 25.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -80.04 179.24 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.751 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 40.9 m -117.9 -177.49 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . 0.418 ' HA ' ' CD1' ' A' ' 57' ' ' ILE . 39.8 m-20 -53.83 -48.79 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -61.57 -73.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.0 mt-10 -40.85 -62.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.59 -70.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.477 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 13.5 mmt -48.2 -35.85 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -30.89 69.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 96' ' ' ALA . 2.8 m -72.84 -41.05 65.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.4 tp -50.59 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -42.22 -37.46 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -63.19 -60.84 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -58.91 -35.86 73.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 45.6 mtp -56.61 -32.09 64.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.95 -25.66 15.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.01 -66.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 13.2 mm-40 -54.57 -17.81 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.477 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -93.74 -7.13 61.72 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -93.11 -57.66 2.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.464 HG12 ' N ' ' A' ' 111' ' ' ARG . 0.3 OUTLIER -76.98 -39.87 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -95.44 -72.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.477 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 117.52 20.38 4.68 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.439 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -159.6 179.15 9.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 111.059 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.46 HG21 ' CD1' ' A' ' 31' ' ' LEU . 12.5 tt -154.56 139.75 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 116' ' ' LEU . 36.2 tt0 -105.28 160.2 15.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 115' ' ' GLN . 30.9 mt -133.5 120.99 21.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 39.5 t -104.48 116.74 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.3 pp -106.94 155.98 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.404 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 2.3 tm? -145.72 121.46 10.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.461 ' HG3' ' CG1' ' A' ' 117' ' ' VAL . 0.3 OUTLIER -143.66 144.03 31.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.41 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 27.9 mt -119.93 155.71 32.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.458 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 29.6 m -133.25 107.71 8.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -112.9 130.48 56.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -97.01 155.72 16.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.478 HG23 ' CD2' ' A' ' 39' ' ' LEU . 25.0 mt -146.16 122.49 5.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.415 ' HB2' ' ND2' ' A' ' 32' ' ' ASN . 18.5 Cg_endo -74.99 132.92 15.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 0.0 111.055 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.48 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 15.8 mt -112.02 49.87 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 69.3 m-80 -77.72 -63.66 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -90.58 -33.25 15.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -43.99 53.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 109.999 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.48 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -40.25 -38.77 1.42 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -37.17 -65.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 110.014 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.35 -28.11 15.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 135.35 178.41 15.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.499 HD21 ' CG2' ' A' ' 114' ' ' ILE . 14.3 mt -39.15 -67.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.69 27.01 3.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.459 HG11 ' CB ' ' A' ' 68' ' ' ALA . 4.4 m -128.68 149.22 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.05 140.6 36.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mt -116.09 176.29 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.15 151.33 48.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.34 132.87 11.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.488 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 2.2 m-20 -113.86 124.18 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -116.8 152.2 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.93 131.53 56.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -47.89 10.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -40.38 -57.58 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.2 p -83.32 -41.0 18.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.411 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.08 49.37 3.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.3 m -146.03 173.78 11.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 110.423 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -99.19 108.16 20.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.9 mt -47.74 -54.77 11.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.22 -145.01 10.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.502 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 35.3 mm -117.81 145.25 23.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 4.9 m-85 -139.61 130.09 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.4 mt -51.72 152.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.41 -51.42 2.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.91 149.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.962 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.64 139.46 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.8 mp -94.44 97.8 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.554 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 1.6 m80 -52.37 -176.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.614 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 43.83 35.7 3.35 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.83 -151.27 5.55 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.54 -57.56 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.459 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . -53.21 -31.09 41.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 7.4 t80 -40.58 -40.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -53.25 -47.26 69.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 73' ' ' ARG . 22.8 t0 -86.89 -13.33 45.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -38.13 -29.04 0.05 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 71' ' ' ASP . 13.5 ptp180 -39.15 -29.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.2 mt -67.56 178.83 1.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -127.59 137.34 52.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.5 176.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 63.43 27.5 15.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.456 ' HB3' ' CG2' ' A' ' 118' ' ' ILE . 48.4 m-20 -90.45 93.09 9.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -51.96 127.55 21.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CB ' HD12 ' A' ' 88' ' ' LEU . 3.5 mp -86.94 92.61 9.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.463 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 28.1 pt -73.31 -6.02 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 178.45 -179.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.464 ' CG2' HD13 ' A' ' 100' ' ' LEU . 2.6 p -169.36 122.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.239 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 56.32 19.97 4.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.77 -8.74 68.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.6 130.46 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.65 153.94 42.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.416 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.471 HD12 ' CB ' ' A' ' 80' ' ' LEU . 80.6 mt -126.28 -43.16 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 81' ' ' ILE . 3.2 mt -48.18 -39.75 21.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.4 -28.8 71.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' LEU . 7.3 mttt -94.9 -175.63 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 50.3 m -103.99 -172.03 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -62.14 -51.29 68.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 95' ' ' GLU . 74.7 t60 -62.84 -71.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' ALA . 6.4 mt-10 -38.47 -65.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.71 -68.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.417 ' HG2' ' CD1' ' A' ' 57' ' ' ILE . 17.3 mmm -47.35 -37.59 11.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -63.19 -30.58 71.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -77.79 -44.23 28.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.382 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.464 HD13 ' CG2' ' A' ' 83' ' ' VAL . 14.3 tp -45.29 -74.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.466 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 19.0 ptt180 -46.78 -26.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -73.53 -61.24 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.429 ' CA ' ' HB2' ' A' ' 107' ' ' GLU . 1.9 m -59.14 -13.49 7.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.064 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 101' ' ' ARG . 11.7 mtm -75.18 -46.17 35.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.3 OUTLIER -97.14 -36.48 10.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -62.4 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.429 ' HB2' ' CA ' ' A' ' 103' ' ' SER . 3.6 mm-40 -74.26 -18.69 60.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -93.9 -8.64 60.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 105' ' ' SER . 1.7 m-20 -72.69 -36.41 67.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.424 ' H ' ' CD1' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -97.34 -34.49 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.413 ' N ' HG12 ' A' ' 110' ' ' ILE . 2.4 mmp_? -79.89 -69.07 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 117.58 10.34 9.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.484 ' C ' ' SD ' ' A' ' 113' ' ' MET . 0.0 OUTLIER -161.8 -168.65 2.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 111.011 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.499 ' CG2' HD21 ' A' ' 39' ' ' LEU . 5.6 tt -148.3 133.43 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.458 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 9.6 tt0 -95.61 129.7 42.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.1 mt -113.66 117.9 32.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.461 ' CG1' ' HG3' ' A' ' 24' ' ' GLN . 38.5 t -104.72 126.62 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 78' ' ' ASP . 1.5 pp -117.74 147.87 20.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -115.44 122.02 44.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 64.42 109.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.78 . . . . 0.0 110.03 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.28 132.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.024 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.13 -165.99 18.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -156.4 168.53 27.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.962 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.32 166.22 31.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.019 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.69 -131.12 10.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.13 130.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.276 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.24 94.04 3.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.56 -70.17 0.52 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.123 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 63.66 93.21 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 57.5 4.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.5 t0 178.03 146.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -60.49 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 108.293 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -173.56 131.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -137.3 118.18 14.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.5 mt -123.84 -59.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 m -136.31 132.95 36.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.28 135.61 57.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.68 155.28 33.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 110.34 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.2 p -166.4 148.29 6.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 m -47.78 153.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -109.07 161.87 14.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -136.25 140.85 43.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 mt -117.79 150.2 39.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.499 ' CG2' ' NE2' ' A' ' 115' ' ' GLN . 12.4 m -124.92 108.29 11.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 1.3 mm? -107.76 137.69 45.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.52 123.62 50.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.3 mp -121.83 121.0 28.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.462 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.4 Cg_endo -74.99 138.23 22.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 20.1 mt -117.25 49.97 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.442 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 60.0 m-80 -80.69 -61.4 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.86 -33.77 15.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -76.01 -44.52 39.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.951 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -39.68 -44.5 2.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 m -38.08 -58.42 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.94 -45.03 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.28 -176.03 27.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.455 ' CD2' HG21 ' A' ' 114' ' ' ILE . 29.2 mt -44.95 -62.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.69 13.87 12.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.468 HG13 ' CB ' ' A' ' 68' ' ' ALA . 5.7 m -123.07 155.27 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 0.759 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.44 ' C ' ' CD2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -112.28 144.07 42.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.943 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.467 ' HB2' ' CE ' ' A' ' 97' ' ' MET . 3.2 mt -121.19 163.98 17.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.96 139.52 46.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.28 139.91 14.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.3 130.56 55.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.88 148.62 36.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.95 129.85 54.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -87.86 -26.9 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -63.5 -29.09 70.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.8 p -108.23 -36.49 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.355 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.89 22.13 53.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 54' ' ' ASP . 1.2 t -122.54 -164.22 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 0.773 . . . . 0.0 110.411 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.44 ' N ' ' CG2' ' A' ' 53' ' ' THR . 0.1 OUTLIER -114.52 104.25 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -42.3 -39.98 2.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.67 -150.77 21.29 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.487 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 23.9 mm -117.37 143.16 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.488 ' CZ ' ' CD ' ' A' ' 79' ' ' GLN . 6.4 m-85 -140.39 141.14 35.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.428 HG23 ' N ' ' A' ' 60' ' ' LYS . 39.1 mt -54.25 145.38 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.428 ' N ' HG23 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -99.68 -48.44 4.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.0 139.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.04 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.3 mp -85.63 139.82 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.1 mp -96.63 101.17 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.588 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 1.5 m80 -53.1 -175.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.583 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 47.07 26.58 3.12 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.26 -155.06 8.55 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.93 -51.05 5.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 0.804 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.468 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -58.99 -31.67 68.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 6.5 t80 -36.86 -42.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -51.2 -50.98 58.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -86.07 -13.0 48.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -43.31 -24.12 0.32 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 71' ' ' ASP . 1.6 ptm180 -37.84 -29.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 110.275 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' GLY . 25.2 mt -67.45 -174.03 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.85 143.04 46.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -49.13 173.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.62 19.82 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.67 95.14 9.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.488 ' CD ' ' CZ ' ' A' ' 58' ' ' PHE . 32.2 tt0 -52.17 131.97 32.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.47 ' HB3' ' CD1' ' A' ' 88' ' ' LEU . 6.9 mp -97.52 93.39 6.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.469 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 21.0 pt -73.74 -4.17 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 178.07 -176.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -171.87 114.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.61 20.46 9.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.62 -8.34 68.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.92 131.01 36.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 110.326 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.34 155.77 40.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 80' ' ' LEU . 65.4 mt -125.97 -44.15 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.469 ' CD2' ' HA ' ' A' ' 81' ' ' ILE . 3.2 mt -48.55 -40.72 28.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.36 -25.98 63.47 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 88' ' ' LEU . 7.7 mttt -97.99 -174.72 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -103.2 -174.57 2.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -60.21 -52.23 66.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.432 ' CD2' ' H ' ' A' ' 95' ' ' GLU . 7.2 p-80 -61.92 -71.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.625 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 98' ' ' GLU . 8.4 mt-10 -38.39 -64.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -39.91 -69.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 33.6 mmm -49.43 -28.22 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -73.24 -28.63 62.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -74.06 -42.87 59.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.5 tp -45.84 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -33.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -62.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.2 m -59.0 -28.83 66.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.472 ' HG3' ' CD1' ' A' ' 114' ' ' ILE . 26.6 mtp -66.0 -35.23 80.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.4 -21.15 17.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.06 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.521 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -84.33 -57.68 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 4.4 mm-40 -72.01 -40.12 68.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.492 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -67.73 -7.0 46.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.41 ' ND2' HG21 ' A' ' 110' ' ' ILE . 5.6 t30 -88.98 -66.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.766 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.521 ' CD1' ' O ' ' A' ' 106' ' ' MET . 0.3 OUTLIER -76.8 -39.42 30.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -87.18 -70.7 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.492 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 111.01 9.61 22.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.462 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 9.6 mtm -143.85 165.51 27.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 111.051 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.472 ' CD1' ' HG3' ' A' ' 104' ' ' MET . 11.6 tt -138.16 136.43 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.499 ' NE2' ' CG2' ' A' ' 26' ' ' THR . 17.5 tt0 -103.79 141.19 36.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.9 mt -121.43 118.59 29.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 18.9 t -103.44 114.8 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 pp -111.14 162.48 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -132.47 121.74 23.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -137.22 112.86 9.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.75 167.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.15 -62.29 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -146.54 141.91 9.96 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 56.43 4.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.7 78.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.044 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.66 132.17 53.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.053 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.3 p -136.09 -58.4 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 0.718 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 t 57.78 160.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.69 -162.28 10.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -178.43 129.11 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 109.944 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.6 147.88 35.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.76 -143.7 6.99 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -167.71 -68.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.789 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.79 146.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.31 86.81 0.32 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.24 151.21 28.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.734 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -41.76 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.408 ' CG ' ' CD1' ' A' ' 15' ' ' TYR . 21.9 t0 179.97 -62.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.1 m 64.19 104.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.314 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.408 ' CD1' ' CG ' ' A' ' 13' ' ' ASP . 37.2 p90 -168.57 -42.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 64.61 164.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.6 mt -69.28 -107.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.8 p 40.06 66.71 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 pp -153.23 -46.43 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' O ' ' CB ' ' A' ' 21' ' ' SER . 0.1 OUTLIER -57.63 152.16 15.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER 81.66 -51.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m 60.18 -178.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -88.44 129.39 35.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -127.74 141.73 51.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.1 mt -123.75 126.48 46.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.446 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 6.2 m -102.55 105.67 16.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 110.346 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -100.23 141.21 33.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -118.38 120.45 37.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.2 mt -119.64 119.9 31.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.467 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -75.0 148.0 34.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.465 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 51.1 mt -123.96 40.54 3.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 1.1 p30 -61.29 -63.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.3 -25.37 15.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.5 t -72.97 -43.91 61.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.465 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -37.68 -40.1 0.67 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -38.41 -64.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 109.972 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.87 -29.28 16.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 126.7 179.13 15.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.472 HD22 ' CG2' ' A' ' 114' ' ' ILE . 18.6 mt -39.4 -70.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.85 32.19 1.94 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.477 HG11 ' CB ' ' A' ' 68' ' ' ALA . 3.2 m -131.53 152.31 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.84 138.96 48.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.03 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.447 ' CD1' HD22 ' A' ' 80' ' ' LEU . 2.4 mt -114.43 157.31 23.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.49 136.45 53.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.18 135.83 13.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -116.95 134.92 54.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -131.74 149.18 52.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.82 132.98 56.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -38.05 20.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.39 -65.59 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.227 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.1 p -75.37 -18.34 59.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.06 35.31 83.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 m -122.15 168.57 11.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.361 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -94.21 107.44 19.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 74.2 mt -52.75 -31.12 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.72 -134.61 9.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 12.6 mm -128.78 147.01 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.541 ' CZ ' ' CD ' ' A' ' 79' ' ' GLN . 11.1 m-85 -141.85 132.47 25.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 60' ' ' LYS . 23.0 mt -50.45 145.55 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' N ' HG22 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -100.24 -53.74 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.4 145.05 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.2 mp -88.36 135.65 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.8 mp -90.98 106.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -57.91 -178.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.64 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 47.78 33.84 10.0 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -138.0 -160.33 8.46 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.15 -50.0 8.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.477 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . -58.79 -36.54 74.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 68' ' ' ALA . 21.0 t80 -35.85 -43.53 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -52.32 -54.03 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 73' ' ' ARG . 4.0 t70 -80.43 -12.87 59.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -39.67 -27.24 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 71' ' ' ASP . 13.0 ptt180 -37.49 -30.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 72' ' ' GLY . 17.2 mt -62.33 177.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -124.73 132.32 53.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -46.45 173.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 67.48 26.48 8.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -89.83 96.87 10.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.541 ' CD ' ' CZ ' ' A' ' 58' ' ' PHE . 30.2 tt0 -51.84 139.68 21.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.447 ' CB ' HD12 ' A' ' 88' ' ' LEU . 4.0 mp -101.94 112.52 25.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 21.3 pt -94.9 7.32 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 163.08 166.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.4 p -152.03 121.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 107' ' ' GLU . 0.5 OUTLIER 57.54 18.6 4.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.86 -18.5 49.78 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.461 1.1 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -69.19 161.6 28.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.27 138.39 39.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.447 HD12 ' CB ' ' A' ' 80' ' ' LEU . 89.3 mt -114.28 -37.86 4.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.0 mt -60.17 -37.02 78.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.74 -27.76 73.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -87.75 -141.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.74 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.06 -150.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.987 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -80.9 -54.71 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.468 ' CD2' ' HG2' ' A' ' 95' ' ' GLU . 13.5 p-80 -64.57 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.468 ' HG2' ' CD2' ' A' ' 94' ' ' HIS . 2.6 mt-10 -36.02 -69.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 95' ' ' GLU . . . -37.15 -66.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.1 mmt -47.94 -43.37 29.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.427 ' OE2' ' NE ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -62.74 -20.91 65.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.431 ' O ' ' CB ' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -91.27 -51.77 5.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.439 ' HG ' ' CE ' ' A' ' 104' ' ' MET . 8.6 tp -39.73 -71.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -50.05 -29.7 9.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 99' ' ' THR . 3.1 ttp85 -64.9 -59.51 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 107' ' ' GLU . 32.9 p -53.59 -34.54 58.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.44 ' SD ' ' CD1' ' A' ' 39' ' ' LEU . 16.2 mtt -59.17 -34.36 72.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.467 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.6 OUTLIER -96.67 -41.72 8.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.462 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -75.9 -61.07 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 7.7 mm-40 -71.33 -13.95 62.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.44 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.39 -5.39 60.44 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.445 1.09 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 105' ' ' SER . 4.2 m-20 -90.16 -55.96 3.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.498 HG12 ' N ' ' A' ' 111' ' ' ARG . 0.3 OUTLIER -75.98 -41.56 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -83.98 -71.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.334 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 119.34 9.71 8.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.467 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 11.2 ptp -158.69 174.41 15.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.472 ' CG2' HD22 ' A' ' 39' ' ' LEU . 7.4 tt -136.41 151.03 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.446 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 11.1 tt0 -115.61 152.73 32.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.243 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.415 ' N ' ' HG2' ' A' ' 115' ' ' GLN . 67.1 mt -131.71 123.67 28.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.428 ' CG1' HD13 ' A' ' 81' ' ' ILE . 6.1 t -104.98 113.72 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -109.04 164.44 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -139.67 129.05 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.15 129.58 56.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -100.36 160.03 14.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.97 -68.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 144.78 74.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.48 7.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.3 m -110.19 -58.65 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.1 168.31 27.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -98.19 126.7 43.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.777 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -121.59 144.81 48.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.18 111.79 0.32 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.82 82.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 110.042 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.7 -59.02 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.93 164.57 1.81 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.0 -61.59 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -171.14 67.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 41.61 -134.9 3.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -174.07 144.21 0.98 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 18.3 Cg_endo -74.97 -56.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.802 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 12' ' ' PRO . 19.2 t0 81.52 -65.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 t 79.04 -62.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 108.269 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.78 152.06 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -152.77 138.67 18.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.1 mt -102.73 119.84 39.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.6 -57.54 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.4 mt -88.75 143.25 27.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -112.48 118.68 35.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.238 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -107.85 154.41 21.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.6 m -86.19 167.63 14.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -111.32 126.07 54.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.82 140.44 49.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.9 mt -126.69 114.63 18.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.436 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 19.4 m -100.23 111.65 23.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.417 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -113.86 125.78 54.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.14 135.96 41.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -126.23 122.16 24.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.442 ' HB2' ' ND2' ' A' ' 32' ' ' ASN . 18.4 Cg_endo -74.93 146.79 33.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 42.6 mt -126.81 51.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.442 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 18.1 m-80 -92.18 -62.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.54 -48.36 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.2 OUTLIER -76.48 -20.91 56.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' SER . . . -36.6 -39.46 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m -52.78 -57.32 10.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.75 -53.16 6.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 34' ' ' SER . . . 129.86 -174.26 19.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.478 ' CD2' ' CG2' ' A' ' 114' ' ' ILE . 29.8 mt -40.44 -69.07 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.81 53.25 1.55 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.477 HG11 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -144.11 154.95 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.3 t -115.22 133.05 56.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.403 ' HB2' ' CE ' ' A' ' 97' ' ' MET . 2.8 mt -116.38 176.49 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -136.45 143.64 43.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.19 118.73 6.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.473 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 1.2 t-20 -96.85 132.03 43.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -121.85 153.9 37.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.75 145.99 43.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.04 -47.98 7.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.06 -66.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.5 t -67.64 -20.1 65.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.26 31.96 70.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.153 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 m -140.05 153.25 46.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.391 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.92 135.55 56.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.0 mt -77.05 -45.45 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.84 -133.32 3.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.9 mm -134.4 143.41 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 0.735 . . . . 0.0 109.278 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 46' ' ' ASN . 26.9 m-85 -135.9 132.13 36.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 60' ' ' LYS . 39.2 mt -59.46 146.81 9.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.423 ' N ' HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -99.32 -53.01 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 p -173.62 164.84 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.6 mp -108.75 127.2 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.0 mp -87.11 112.47 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -65.75 165.29 12.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.608 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.495 ' N ' ' CG ' ' A' ' 64' ' ' HIS . . . 71.01 13.37 72.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.88 -161.08 11.3 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.7 -38.79 17.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.477 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . -65.03 -32.69 74.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -42.34 -40.61 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -56.75 -42.58 79.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 73' ' ' ARG . 17.4 t0 -88.23 -13.51 40.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -37.67 -29.85 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 71' ' ' ASP . 9.3 ptm180 -38.14 -30.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' GLY . 33.9 mt -64.33 -175.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -134.8 128.75 33.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.419 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -43.46 167.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 70.52 22.8 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -89.7 101.28 13.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.415 ' HG3' ' CE1' ' A' ' 58' ' ' PHE . 17.3 tt0 -55.78 134.74 51.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.442 ' CB ' HD13 ' A' ' 88' ' ' LEU . 1.6 mp -93.65 131.62 38.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.52 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 23.2 pt -116.64 7.95 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 162.26 159.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.475 ' O ' ' CG ' ' A' ' 84' ' ' ASN . 1.4 p -147.1 120.34 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.547 ' ND2' ' CB ' ' A' ' 103' ' ' SER . 10.8 p30 49.35 22.73 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 83' ' ' VAL . . . 106.68 -28.1 14.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' VAL . 3.5 mm-40 -63.2 142.38 58.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.79 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.406 ' O ' ' CE ' ' A' ' 91' ' ' LYS . 0.4 OUTLIER -93.6 141.16 28.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.442 HD13 ' CB ' ' A' ' 80' ' ' LEU . 70.7 mt -114.58 -39.81 3.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.472 ' CD2' ' HA ' ' A' ' 81' ' ' ILE . 5.3 mt -51.05 -53.26 35.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.26 -27.43 52.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.406 ' CE ' ' O ' ' A' ' 87' ' ' THR . 6.3 mttm -88.89 -153.14 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.451 ' HG ' ' N ' ' A' ' 93' ' ' ASN . 58.1 p -132.83 -150.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.451 ' N ' ' HG ' ' A' ' 92' ' ' SER . 62.7 m-20 -80.48 -51.99 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -66.0 -67.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.602 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 96' ' ' ALA . 9.0 mt-10 -39.23 -65.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -39.29 -69.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.403 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 11.0 mmt -44.56 -50.72 9.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -29.14 57.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -81.04 -51.68 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.1 tp -39.68 -66.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -54.13 -34.39 60.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -57.26 -51.78 67.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.547 ' CB ' ' ND2' ' A' ' 84' ' ' ASN . 23.9 m -60.3 -40.49 90.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.402 ' SD ' ' CD1' ' A' ' 39' ' ' LEU . 13.7 mtt -54.86 -28.18 48.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.6 t -97.11 -40.16 8.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.412 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -80.34 -64.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 3.1 mm-40 -60.3 -13.5 13.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.423 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -93.68 -7.54 61.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -93.53 -59.54 1.99 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -74.62 -39.52 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -95.32 -72.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.423 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 112.27 23.66 5.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -162.81 172.43 15.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 0.8 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.478 ' CG2' ' CD2' ' A' ' 39' ' ' LEU . 18.7 tt -142.74 137.04 27.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.436 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 20.9 tt0 -105.66 154.97 19.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.6 mt -130.97 126.65 36.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 6.3 t -109.67 110.26 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -104.2 163.44 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -138.26 136.52 36.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -143.76 145.55 32.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -65.95 167.18 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 t -42.62 -56.0 3.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -176.58 -123.97 0.8 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -37.08 2.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.5 165.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.3 m 40.64 78.71 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.27 128.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 109.955 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.76 168.48 0.51 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.95 116.11 0.44 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 p -163.12 117.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 p -169.04 168.13 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.09 144.15 13.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 mp -147.86 -67.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 0.799 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.07 177.12 2.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.19 -138.32 5.34 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.79 147.61 39.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -63.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 t70 73.9 89.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.2 t -127.47 11.1 6.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 108.307 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -42.16 132.15 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.04 -169.21 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -124.09 -107.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.78 168.23 27.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.962 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pp -135.12 -47.95 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -54.86 122.42 10.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.8 p -160.75 170.51 20.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -54.1 172.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 110.01 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.409 ' O ' HD12 ' A' ' 119' ' ' LEU . 0.7 OUTLIER -108.47 146.78 32.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -138.76 144.43 39.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.421 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 23.7 mt -121.14 152.9 38.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 94.3 m -133.39 114.3 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -107.28 150.97 26.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.13 125.53 48.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.9 mt -123.01 117.42 28.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.475 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -75.01 142.71 28.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.0 mt -119.32 37.47 4.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 66.6 m-80 -64.27 -63.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.29 -30.11 13.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.445 ' OG ' ' CB ' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -75.34 -19.23 59.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.88 -27.33 50.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -50.13 -58.08 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 110.036 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.25 -45.71 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 132.13 -170.53 21.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.469 HD22 ' CG2' ' A' ' 114' ' ' ILE . 26.5 mt -40.17 -66.17 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.7 56.04 1.37 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.476 ' HA ' ' CD1' ' A' ' 63' ' ' ILE . 2.9 m -145.78 154.0 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 1.4 p -99.86 133.64 43.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.477 ' CD1' ' HE3' ' A' ' 97' ' ' MET . 5.1 mt -124.06 179.42 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.76 145.68 27.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.93 109.0 2.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -85.92 138.85 31.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -129.17 150.1 50.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.3 133.02 55.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -90.54 -44.89 9.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -62.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.6 p -70.19 -42.76 71.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.364 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.39 33.04 7.82 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 t -132.27 -162.22 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 110.423 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -115.69 117.82 31.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 74.6 mt -55.88 -30.74 62.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.37 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.37 -152.0 19.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.606 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 37.2 mm -111.49 164.17 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 88.0 m-85 -161.04 136.98 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.0 mt -69.25 147.51 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 42' ' ' SER . 4.7 ttpt -96.2 -54.99 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.95 161.57 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.954 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.8 mp -101.54 140.99 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 41' ' ' VAL . 3.5 mp -97.07 105.35 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.415 ' ND1' ' CE1' ' A' ' 69' ' ' PHE . 5.9 m-70 -57.98 -179.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.631 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.07 35.04 4.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.33 -152.06 5.74 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.445 ' CB ' ' OG ' ' A' ' 34' ' ' SER . . . -87.55 -59.61 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.471 ' CB ' HG12 ' A' ' 41' ' ' VAL . . . -52.86 -33.43 49.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.415 ' CE1' ' ND1' ' A' ' 64' ' ' HIS . 5.8 t80 -37.04 -44.19 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -55.39 -51.51 66.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' ARG . 0.6 OUTLIER -78.08 -12.66 60.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . -36.72 -30.87 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.046 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASP . 8.2 ptp180 -38.97 -29.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' GLY . 13.5 mt -64.85 177.14 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -128.3 125.65 39.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 75' ' ' ARG . 1.7 ptt? -43.11 167.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.61 7.51 4.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.78 93.43 2.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -44.21 135.23 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 57' ' ' ILE . 6.5 mp -97.1 103.44 15.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.443 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 35.7 pt -88.37 4.78 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 168.08 171.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.466 ' CG2' HD11 ' A' ' 114' ' ' ILE . 3.1 p -161.61 120.86 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 56.71 18.4 3.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.75 -16.86 54.18 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -69.18 162.33 27.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.95 135.73 50.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.419 ' CD1' ' HB3' ' A' ' 80' ' ' LEU . 40.8 mt -112.64 -33.75 6.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.443 ' CD2' ' HA ' ' A' ' 81' ' ' ILE . 3.5 mt -62.15 -26.36 68.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.53 -29.28 49.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -95.05 -161.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.01 -159.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -73.72 -49.71 24.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.408 ' CD2' ' H ' ' A' ' 95' ' ' GLU . 9.7 p-80 -63.92 -68.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.648 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 99' ' ' THR . 10.2 mt-10 -38.11 -67.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -40.07 -71.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.477 ' HE3' ' CD1' ' A' ' 43' ' ' LEU . 15.5 mmt -42.13 -49.91 4.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -59.79 -34.88 73.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -75.41 -37.8 60.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.442 HD11 ' CG2' ' A' ' 83' ' ' VAL . 7.7 tp -51.8 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 102' ' ' ARG . 1.3 ptt85 -56.23 -46.02 79.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.459 ' N ' ' CG ' ' A' ' 101' ' ' ARG . 19.3 ttt180 -52.52 -43.27 65.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 107' ' ' GLU . 3.1 m -62.76 -44.69 95.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.479 ' HG3' ' CD1' ' A' ' 114' ' ' ILE . 11.9 mtt -52.1 -29.57 22.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.2 OUTLIER -96.97 -57.02 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.008 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -59.08 3.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 103' ' ' SER . 19.7 mm-40 -67.81 -21.73 65.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -95.92 -8.59 57.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 105' ' ' SER . 2.1 t30 -80.09 -44.86 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.441 ' CD1' ' HA ' ' A' ' 107' ' ' GLU . 0.2 OUTLIER -80.97 -36.2 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.438 ' HB2' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -87.69 -71.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 125.37 6.15 6.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.475 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 1.9 ptt? -157.97 -170.96 3.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 0.74 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.479 ' CD1' ' HG3' ' A' ' 104' ' ' MET . 15.9 tt -147.43 164.5 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.49 ' CG ' ' N ' ' A' ' 116' ' ' LEU . 8.3 tt0 -129.95 159.53 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.329 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.49 ' N ' ' CG ' ' A' ' 115' ' ' GLN . 51.2 mt -133.18 122.14 23.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.5 t -107.08 108.68 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.1 pp -104.37 151.49 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.36 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 120' ' ' ARG . 0.2 OUTLIER -123.42 114.28 19.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.417 ' N ' HD12 ' A' ' 119' ' ' LEU . 18.2 ttp85 -99.38 105.15 17.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -88.54 -78.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.8 t -94.88 -59.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 154.06 71.94 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.779 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 77.3 p -81.86 122.45 27.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.956 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.8 p -152.56 125.72 8.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.23 163.72 1.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.997 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 t 63.55 149.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.966 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.35 141.68 3.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 p -159.88 166.67 29.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.08 167.96 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.99 -154.24 7.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.77 -69.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 66.26 120.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.11 -78.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 62.01 141.22 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.763 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -58.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 60.57 105.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.09 117.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 108.319 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -144.19 138.2 27.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.91 123.27 3.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 19' ' ' LEU . 2.6 pp -136.32 171.15 14.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER 68.33 -70.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.422 ' CB ' ' O ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 81.86 -70.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -117.65 159.18 23.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.4 m -107.79 85.81 2.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.1 m -157.27 149.18 22.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -105.55 159.68 15.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -138.0 143.9 40.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.42 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 26.3 mt -122.96 140.97 52.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.504 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 29.9 m -125.15 106.78 10.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.465 ' CB ' ' OD1' ' A' ' 71' ' ' ASP . 0.9 OUTLIER -113.5 123.03 49.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -84.08 142.9 30.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.466 HD11 ' CB ' ' A' ' 71' ' ' ASP . 83.0 mt -131.4 116.24 16.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.469 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.1 Cg_endo -75.04 130.46 13.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.979 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 15.6 mt -113.65 55.65 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.432 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 48.1 m-80 -87.08 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -87.04 -37.9 17.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.13 -45.11 43.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.464 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -39.98 -37.67 1.06 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -51.4 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.39 -38.39 10.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.66 177.8 15.21 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.401 ' CD2' HG22 ' A' ' 114' ' ' ILE . 26.8 mt -40.21 -71.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.12 40.17 1.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.467 HG11 ' CB ' ' A' ' 68' ' ' ALA . 2.6 m -142.92 157.22 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 t -113.57 138.94 49.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mt -115.51 176.23 5.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -139.04 141.97 38.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.45 123.67 7.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -105.51 142.84 34.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.798 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -125.85 148.84 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.08 137.23 50.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.39 -52.69 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -41.15 -67.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p -68.71 -45.67 70.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.98 48.51 3.11 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.4 m -150.47 161.91 41.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 110.401 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.75 109.93 14.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.235 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.442 ' O ' ' NE2' ' A' ' 79' ' ' GLN . 68.1 mt -46.55 -41.9 15.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.74 -164.78 26.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 93' ' ' ASN . 45.8 mm -98.84 133.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -125.09 128.16 48.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 60' ' ' LYS . 53.4 mt -52.68 147.56 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 76' ' ' MET . 1.9 ttpt -100.29 -56.14 2.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 p -173.67 152.68 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.442 ' CG1' ' HA2' ' A' ' 72' ' ' GLY . 2.0 mp -98.2 132.1 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.5 mp -84.76 153.78 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -103.04 152.6 21.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.616 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.11 16.78 60.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.68 -164.79 10.65 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.75 -44.41 20.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.467 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . -48.66 -46.35 40.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 69' ' ' PHE . 1.7 t80 -37.38 -44.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -53.63 -50.78 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.466 ' CB ' HD11 ' A' ' 29' ' ' ILE . 34.5 t70 -80.5 -13.1 59.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . -43.05 -25.24 0.35 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 71' ' ' ASP . 12.7 ptp180 -41.4 -27.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.727 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.438 ' N ' ' C ' ' A' ' 72' ' ' GLY . 24.1 mt -69.9 174.93 4.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 76' ' ' MET . 6.7 mmt85 -122.42 128.06 50.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.442 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -39.98 161.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 111.008 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 76' ' ' MET . 1.1 m-20 75.12 39.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.449 ' HB3' ' CG2' ' A' ' 118' ' ' ILE . 4.9 m-20 -104.6 92.01 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 55' ' ' LEU . 12.1 tt0 -45.59 128.15 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.453 ' CB ' HD13 ' A' ' 88' ' ' LEU . 4.7 mp -89.97 88.01 7.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.462 HD13 ' CG1' ' A' ' 117' ' ' VAL . 27.1 pt -66.52 -10.7 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -177.2 -178.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 p -165.63 116.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.94 20.35 12.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.09 -9.57 65.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -87.57 139.15 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.27 149.28 35.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.453 HD13 ' CB ' ' A' ' 80' ' ' LEU . 57.4 mt -121.66 -44.03 2.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 81' ' ' ILE . 2.7 mt -51.07 -41.2 59.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.1 -29.88 45.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -97.76 -165.86 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.744 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 58.9 m -110.01 -176.43 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.461 ' HA ' ' CD1' ' A' ' 57' ' ' ILE . 54.8 m-20 -57.68 -47.91 80.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.455 ' CD2' ' H ' ' A' ' 95' ' ' GLU . 7.3 p-80 -64.23 -73.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.611 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 98' ' ' GLU . 13.4 mt-10 -38.04 -64.07 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.99 -69.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 17.5 mmm -47.85 -31.52 5.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -68.14 -33.58 74.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 96' ' ' ALA . 1.1 m -69.09 -46.2 68.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.4 tp -43.94 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -43.07 -37.01 1.82 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -58.3 9.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 107' ' ' GLU . 8.3 p -61.32 -38.29 86.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.04 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.486 ' HG3' ' CD1' ' A' ' 114' ' ' ILE . 37.9 mtp -57.87 -29.41 65.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.419 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 2.4 t -96.36 -32.81 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.969 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.481 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -86.7 -68.92 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 5.5 mm-40 -53.82 -20.62 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.464 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -94.74 -7.23 60.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 105' ' ' SER . 3.6 m-20 -91.96 -56.15 3.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 106' ' ' MET . 0.3 OUTLIER -77.64 -40.19 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -95.75 -73.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.464 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 116.57 13.38 8.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.469 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 2.1 mtp -140.47 172.31 12.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.486 ' CD1' ' HG3' ' A' ' 104' ' ' MET . 15.6 tt -147.91 140.14 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.504 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 13.8 tt0 -109.49 148.41 31.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.406 ' N ' ' HG2' ' A' ' 115' ' ' GLN . 78.4 mt -128.45 117.66 21.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.462 ' CG1' HD13 ' A' ' 81' ' ' ILE . 25.5 t -102.31 109.95 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' A' ' 78' ' ' ASP . 1.8 pp -103.54 160.24 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -125.44 124.06 40.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.6 127.39 48.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -85.4 166.63 16.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.78 -65.13 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -163.65 132.78 2.83 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 60.95 5.56 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.4 m 45.52 82.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.997 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.01 97.9 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 110.006 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.89 137.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 109.999 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -178.19 167.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.84 121.46 0.57 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.07 125.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.88 169.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.5 148.62 20.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -175.52 127.47 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 0.0 109.297 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.39 63.01 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.68 156.18 13.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -91.64 150.77 41.58 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -47.52 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.458 1.767 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.46 111.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -115.74 158.32 23.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 108.285 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -125.24 133.36 52.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.92 174.17 7.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 pp -147.69 155.79 42.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.7 t 63.63 165.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 mt -96.51 174.98 6.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.12 156.36 33.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t 66.49 -175.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.6 m -56.73 171.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -107.34 158.38 17.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.315 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.425 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -145.73 144.58 30.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.425 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 21.7 mt -119.96 138.58 53.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.455 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 3.4 m -107.81 106.18 16.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -99.85 132.03 45.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -115.0 117.53 30.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -117.37 122.1 31.41 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.489 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.2 Cg_endo -75.03 145.71 31.67 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.436 1.756 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.2 mt -122.81 37.49 4.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 59.7 m-80 -66.74 -63.23 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -94.95 -28.52 15.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -75.04 -35.1 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -42.75 -38.05 3.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -39.02 -63.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.024 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.17 -22.49 18.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 112.82 -175.54 16.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.466 HD22 ' CG2' ' A' ' 114' ' ' ILE . 17.9 mt -39.72 -67.11 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.69 47.27 1.4 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.609 ' CG1' ' CB ' ' A' ' 68' ' ' ALA . 3.3 m -141.72 157.51 20.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.432 ' C ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -115.83 139.77 49.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.448 ' HB2' ' CE ' ' A' ' 97' ' ' MET . 3.1 mt -119.52 177.2 5.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.52 175.89 8.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.71 129.36 5.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.32 123.73 49.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -110.78 139.92 45.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.426 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -104.4 133.65 48.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -31.12 24.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.87 -54.04 51.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.6 p -86.64 -3.53 59.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.46 39.82 37.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.125 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.2 t -140.48 -151.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 110.407 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -114.07 150.45 33.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.1 mt -91.49 -39.75 11.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.06 -160.93 28.25 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.499 ' CD1' ' OD1' ' A' ' 93' ' ' ASN . 12.4 mm -115.54 132.67 64.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -123.34 131.6 53.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 78' ' ' ASP . 53.1 mt -46.55 146.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.432 ' N ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -99.28 -57.42 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 p -176.86 130.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.21 141.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.2 mp -94.0 96.84 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.75 153.86 31.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.595 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.01 7.78 80.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.431 1.082 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.89 -147.2 6.51 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 69' ' ' PHE . . . -85.64 -62.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.609 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . -43.16 -27.94 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.411 ' N ' ' C ' ' A' ' 67' ' ' ALA . 12.6 t80 -48.12 -48.56 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -44.61 -72.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 73' ' ' ARG . 0.6 OUTLIER -66.01 -11.84 50.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -44.41 -21.81 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.43 ' N ' ' C ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -36.55 -31.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.314 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 72' ' ' GLY . 28.2 mt -69.56 -171.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -138.38 150.81 46.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 2.5 ptm -49.94 160.51 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 76' ' ' MET . 4.7 m-20 79.33 50.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.442 ' HB2' ' CD1' ' A' ' 59' ' ' ILE . 5.1 m-20 -118.28 95.88 5.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -52.95 134.41 37.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HB3' ' CD1' ' A' ' 88' ' ' LEU . 6.0 mp -98.6 93.51 6.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.434 HD11 ' CG1' ' A' ' 117' ' ' VAL . 16.5 pt -73.42 -4.45 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 175.37 -172.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.463 ' CG2' HD13 ' A' ' 100' ' ' LEU . 2.6 p -176.95 123.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.19 19.56 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.24 -9.18 69.8 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -90.16 131.84 35.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.53 155.54 39.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 80' ' ' LEU . 71.0 mt -124.01 -43.79 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.432 ' CD2' ' HA ' ' A' ' 81' ' ' ILE . 2.9 mt -51.39 -43.89 62.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.4 -32.16 60.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -89.35 -158.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -114.55 -172.33 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.976 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.499 ' OD1' ' CD1' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -68.93 -31.39 70.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 13.6 p-80 -79.86 -67.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 96' ' ' ALA . 8.7 mt-10 -42.34 -62.82 0.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 95' ' ' GLU . . . -39.89 -72.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.448 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 43.3 mmm -46.36 -44.99 17.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -60.27 -32.38 71.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.406 ' N ' ' HG3' ' A' ' 98' ' ' GLU . 0.9 OUTLIER -73.7 -38.45 64.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.37 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.463 HD13 ' CG2' ' A' ' 83' ' ' VAL . 8.8 tp -51.15 -71.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.459 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 0.0 OUTLIER -47.84 -23.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 106' ' ' MET . 8.6 ttt85 -78.1 -58.88 3.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 41.8 m -58.51 -14.2 7.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 101' ' ' ARG . 15.2 mtt -68.82 -56.56 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.4 OUTLIER -97.61 -33.21 11.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.028 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -68.34 -54.57 16.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 103' ' ' SER . 3.8 mm-40 -85.33 -17.96 35.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 112' ' ' GLY . . . -93.6 -8.54 60.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 105' ' ' SER . 2.1 m-20 -68.32 -47.44 67.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -87.36 -32.44 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -81.2 -63.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 108' ' ' GLY . . . 111.29 14.57 11.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.489 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -168.54 -174.2 2.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 0.0 111.006 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.466 ' CG2' HD22 ' A' ' 39' ' ' LEU . 9.5 tt -143.36 154.78 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.455 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 11.6 tt0 -120.11 147.44 44.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.2 mt -126.31 118.66 25.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.434 ' CG1' HD11 ' A' ' 81' ' ' ILE . 20.1 t -103.21 114.83 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.6 pp -109.13 161.91 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -125.38 131.0 53.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -129.2 140.89 51.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -88.59 162.66 16.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -55.97 24.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -136.15 -146.28 5.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -32.47 5.31 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.5 t 55.61 102.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.1 m -132.77 125.88 31.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.989 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 t -174.06 145.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.13 148.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.01 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.37 -174.43 46.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -92.84 84.39 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.2 p -173.95 156.1 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.88 91.16 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -170.33 -65.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 0.8 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.63 102.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.49 174.94 13.88 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -111.06 157.49 38.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -50.14 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.78 115.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.2 m -110.57 155.01 22.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.19 148.14 37.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.82 177.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 48.08 -172.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.94 160.08 41.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 mt -95.78 37.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 44.51 -161.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.9 t -79.08 129.62 34.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.2 m -67.94 176.25 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -87.37 123.33 32.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.516 ' NE2' ' CG1' ' A' ' 117' ' ' VAL . 7.2 tt0 -131.59 144.99 51.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 24' ' ' GLN . 29.0 mt -139.95 130.72 25.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.501 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 17.0 m -110.49 103.31 11.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 1.3 mm? -108.02 119.42 39.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -94.93 141.29 28.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.7 mt -129.34 127.54 23.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.48 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -75.03 145.23 31.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.4 mt -124.22 38.69 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.441 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 44.5 m-80 -70.41 -63.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.24 -30.66 18.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.71 -33.44 60.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -37.57 -41.4 0.82 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -39.97 -62.12 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.3 -43.75 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 134.67 -171.46 22.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.486 ' CD2' ' CG2' ' A' ' 114' ' ' ILE . 19.5 mt -39.67 -66.49 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.25 40.46 1.65 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.474 HG12 ' CB ' ' A' ' 68' ' ' ALA . 3.0 m -146.7 153.13 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.435 ' C ' ' CD2' ' A' ' 43' ' ' LEU . 17.7 t -111.92 150.66 30.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.435 ' CD2' ' C ' ' A' ' 42' ' ' SER . 2.7 mt -118.44 168.19 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.692 ' HZ1' ' ND2' ' A' ' 77' ' ' ASN . 1.4 pttt -127.96 142.68 51.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.16 138.24 13.94 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -123.96 129.61 51.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -120.99 147.89 44.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.63 135.05 52.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.996 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -88.16 -38.2 15.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 75.3 p -75.86 -42.4 49.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.43 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.63 47.23 4.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.437 1.086 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.3 m -143.85 166.64 24.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 0.726 . . . . 0.0 110.426 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -89.9 103.92 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.7 mt -48.26 -45.73 34.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.15 -140.09 8.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.4 mm -120.58 146.75 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.505 ' CE2' ' HB2' ' A' ' 79' ' ' GLN . 26.5 m-85 -137.44 124.16 21.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.445 HG23 ' N ' ' A' ' 60' ' ' LYS . 13.5 mt -40.87 145.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.445 ' N ' HG23 ' A' ' 59' ' ' ILE . 1.3 ttmm -100.15 -53.32 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 80.0 p -174.4 157.74 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.2 mp -104.59 127.58 58.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.0 mp -86.98 113.19 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -64.79 166.85 8.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.57 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.02 23.04 76.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.46 -165.08 11.48 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.81 -37.22 24.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.474 ' CB ' HG12 ' A' ' 41' ' ' VAL . . . -66.46 -36.33 82.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -39.69 -40.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -53.44 -46.87 70.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' ALA . 19.0 t0 -88.76 -13.15 40.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -40.36 -27.01 0.14 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -39.43 -28.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 110.324 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' GLY . 30.4 mt -63.76 -175.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -131.88 131.8 43.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.433 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -45.49 172.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.692 ' ND2' ' HZ1' ' A' ' 44' ' ' LYS . 1.2 m-20 69.35 24.22 5.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -89.47 103.08 15.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.505 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 57.7 tt0 -54.13 135.06 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 88' ' ' LEU . 6.2 mp -97.93 100.13 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.501 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 14.7 pt -86.99 7.73 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 163.58 176.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.462 ' CG2' ' CD1' ' A' ' 100' ' ' LEU . 2.4 p -169.89 116.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 68.54 11.84 8.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.78 -14.6 56.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -82.87 132.68 35.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.75 157.5 37.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.386 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 80' ' ' LEU . 93.1 mt -127.66 -45.33 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.3 mt -51.41 -44.1 62.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.32 -27.14 65.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -91.25 -172.45 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.52 172.39 6.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -56.55 -29.7 62.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -80.68 -71.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -41.65 -59.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -40.0 -71.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.1 mmm -47.53 -42.0 22.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -30.45 71.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.4 -39.9 52.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.4 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.472 ' HG ' ' CE ' ' A' ' 104' ' ' MET . 14.4 tp -49.17 -71.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.403 ' N ' ' HE2' ' A' ' 104' ' ' MET . 10.1 ptp180 -43.74 -26.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 106' ' ' MET . 0.0 OUTLIER -78.94 -56.49 4.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 17.2 m -56.89 -13.55 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.958 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.472 ' CE ' ' HG ' ' A' ' 100' ' ' LEU . 18.9 mtt -72.2 -59.13 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 109' ' ' ASN . 21.1 m -98.49 -39.12 8.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.523 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -58.95 -42.54 90.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 103' ' ' SER . 10.0 mm-40 -98.29 -21.56 16.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 104' ' ' MET . . . -89.46 -9.56 66.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 106' ' ' MET . 6.3 p30 -66.37 -43.9 84.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.47 ' N ' ' OD1' ' A' ' 109' ' ' ASN . 0.2 OUTLIER -96.77 -36.01 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.41 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 2.9 tpt85 -73.18 -54.67 7.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.0 20.2 19.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.48 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 15.6 ptt? -179.36 171.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.486 ' CG2' ' CD2' ' A' ' 39' ' ' LEU . 15.5 tt -129.97 159.01 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.501 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 13.0 tt0 -124.1 149.43 46.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.401 ' N ' ' HG2' ' A' ' 115' ' ' GLN . 72.4 mt -128.09 121.83 30.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.516 ' CG1' ' NE2' ' A' ' 24' ' ' GLN . 3.9 t -104.82 111.52 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.1 pp -104.88 152.13 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.433 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 3.4 tm? -136.57 119.98 16.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.26 150.88 35.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -123.01 178.05 5.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 72.1 p -57.86 -64.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 149.22 -112.51 0.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -21.79 15.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.24 -73.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 66.0 m -119.63 96.19 5.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.07 170.38 20.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 0.783 . . . . 0.0 109.962 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.14 113.25 7.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.947 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.43 -169.26 30.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -162.5 172.9 14.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -164.64 168.04 18.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.0 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.38 155.51 20.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' CD2' ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -125.43 93.25 3.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.335 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.05 146.42 33.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.5 173.07 38.72 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -150.75 92.95 3.8 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.519 0.776 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 75.93 3.55 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -134.22 114.26 12.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.91 164.12 9.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 108.327 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -169.52 167.52 9.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.39 142.0 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.22 161.6 33.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.13 153.27 51.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.1 mt -110.72 152.17 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.87 150.09 23.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.63 159.2 11.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 m -94.9 164.56 12.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -110.16 126.5 54.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.3 139.24 53.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.4 mt -116.88 143.45 45.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.479 ' CG2' ' NE2' ' A' ' 115' ' ' GLN . 38.3 m -121.88 112.09 17.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.442 ' HG ' ' CD1' ' A' ' 74' ' ' LEU . 1.6 mm? -107.65 139.14 42.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -107.97 110.62 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.9 mt -110.55 115.28 54.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -74.98 144.04 29.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' CD2' HD22 ' A' ' 39' ' ' LEU . 16.6 mt -127.51 56.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 10.3 m-80 -92.61 -62.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -84.44 -43.09 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.436 ' CB ' ' HB2' ' A' ' 67' ' ' ALA . 0.5 OUTLIER -75.85 -29.33 58.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -46.39 -42.54 13.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' GLY . 25.3 t -38.32 -48.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.66 -36.8 12.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.33 -169.35 19.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 31' ' ' LEU . 28.3 mt -48.18 -68.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.797 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.91 42.69 2.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.461 HG11 ' CB ' ' A' ' 68' ' ' ALA . 3.0 m -141.83 154.52 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.21 136.18 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' HB2' ' CE ' ' A' ' 97' ' ' MET . 3.3 mt -117.39 175.72 5.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.493 ' CD ' ' HB2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -125.92 175.85 7.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.88 110.18 0.68 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -98.66 148.6 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.4 148.89 50.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.18 119.23 38.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -87.74 -33.5 18.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -21.03 43.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 p -123.57 -41.72 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.45 16.73 26.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 m -109.55 168.13 9.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.378 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.07 116.52 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.6 mt -54.56 -40.64 68.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.69 -139.3 8.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.112 . . . . 0.0 111.051 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.3 mm -135.05 142.37 40.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.576 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 1.3 m-85 -133.18 145.06 50.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 60' ' ' LYS . 42.3 mt -63.18 146.5 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.419 ' N ' HG22 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -97.19 -56.83 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.86 142.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.33 137.7 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.2 mp -91.17 156.63 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.413 ' CD2' ' N ' ' A' ' 64' ' ' HIS . 0.2 OUTLIER -107.66 142.61 37.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.4 15.79 42.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -129.67 -155.57 8.49 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 34' ' ' SER . . . -90.34 -36.19 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 0.73 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.461 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . -61.89 -42.03 98.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -38.57 -44.23 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -58.08 -48.5 79.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 73' ' ' ARG . 22.2 t70 -77.02 -13.15 59.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -37.44 -30.06 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.122 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' ASP . 7.1 ptt180 -37.46 -31.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 72' ' ' GLY . 30.7 mt -66.55 -172.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.44 ' O ' ' CD ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -139.52 130.43 26.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.466 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.5 OUTLIER -44.11 167.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 76' ' ' MET . 2.2 m120 79.67 3.36 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.45 94.54 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -49.91 137.1 17.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.448 ' CB ' HD13 ' A' ' 88' ' ' LEU . 4.6 mp -96.78 93.25 6.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.457 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 16.1 pt -77.61 -1.76 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 172.74 177.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.483 ' CG2' HD11 ' A' ' 114' ' ' ILE . 2.1 p -169.93 119.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.05 19.46 11.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.28 -9.08 75.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -85.79 144.45 27.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.264 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.65 152.82 29.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.448 HD13 ' CB ' ' A' ' 80' ' ' LEU . 82.9 mt -125.46 -45.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.349 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' A' ' 81' ' ' ILE . 3.1 mt -52.16 -48.39 64.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.56 -23.73 44.24 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -93.0 -170.21 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 0.803 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.6 m -105.56 -178.63 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -64.58 -28.5 69.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -84.17 -70.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.635 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 99' ' ' THR . 3.9 mt-10 -39.32 -58.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -42.6 -72.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 59.6 mmm -50.31 -33.48 20.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -70.91 -24.76 62.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -78.51 -37.14 43.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.352 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.1 tp -48.61 -66.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.4 ' HA ' ' SD ' ' A' ' 104' ' ' MET . 7.2 ptm180 -46.99 -38.55 10.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 13.0 mmt180 -65.35 -60.89 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 26.4 m -61.82 -12.75 18.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.486 ' HG3' ' CD1' ' A' ' 114' ' ' ILE . 27.1 mtp -82.31 -40.31 21.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.3 OUTLIER -98.03 -37.94 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.026 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.5 -66.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 111' ' ' ARG . 16.7 mm-40 -65.27 -21.27 66.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -93.94 -9.53 59.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 105' ' ' SER . 1.5 m-20 -72.29 -38.19 68.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 0.804 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.437 HG12 ' N ' ' A' ' 111' ' ' ARG . 0.2 OUTLIER -96.11 -36.01 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.437 ' N ' HG12 ' A' ' 110' ' ' ILE . 1.1 mmp_? -78.77 -56.24 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.0 9.89 44.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.472 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 2.6 ptt? -159.78 -174.0 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.486 ' CD1' ' HG3' ' A' ' 104' ' ' MET . 11.0 tt -145.33 151.68 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.479 ' NE2' ' CG2' ' A' ' 26' ' ' THR . 20.2 tt0 -117.43 141.08 48.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.0 mt -119.1 123.9 45.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 18.2 t -107.76 109.13 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.3 pp -106.82 143.31 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -116.9 126.88 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.58 145.33 34.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.73 161.35 20.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.0 p -48.05 -68.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 144.81 74.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 2.91 6.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.0 m -122.75 175.86 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 95.1 p -126.01 148.8 49.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 0.0 110.961 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -147.74 -58.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.98 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.4 t 62.39 160.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.76 120.44 0.52 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.4 p -178.09 156.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.92 151.35 1.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.122 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.29 149.56 5.51 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.96 -146.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 176.24 6.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.62 142.87 7.06 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -178.96 112.88 0.21 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 68.45 5.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.81 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -65.63 95.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.36 120.54 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.296 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -146.08 163.27 35.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.44 136.84 6.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -120.05 -88.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.2 t 60.96 110.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 47.76 -173.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -74.92 112.7 11.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.4 p -130.22 94.64 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.2 m -141.79 163.39 33.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.1 134.61 37.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -143.08 136.47 28.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.5 mt -113.46 152.55 29.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.469 ' CG2' ' OE1' ' A' ' 115' ' ' GLN . 18.7 m -124.47 112.74 17.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -116.68 116.33 27.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.94 144.79 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.434 HG21 ' CD2' ' A' ' 39' ' ' LEU . 77.4 mt -135.18 121.34 14.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.427 ' HB2' ' ND2' ' A' ' 32' ' ' ASN . 18.4 Cg_endo -74.95 144.67 30.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.3 mt -127.88 53.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.427 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 12.4 m-80 -89.97 -61.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -87.96 -44.5 10.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.62 -23.26 58.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.97 -38.33 46.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -39.05 -51.29 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 0.806 . . . . 0.0 110.038 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.2 -36.06 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.76 -177.53 16.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD21 ' CG2' ' A' ' 114' ' ' ILE . 21.6 mt -40.54 -68.68 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.3 37.66 3.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.539 ' CG1' ' CB ' ' A' ' 68' ' ' ALA . 4.2 m -128.72 151.3 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 t -111.02 137.14 49.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.031 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mt -115.74 164.21 14.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.33 136.67 53.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.66 125.81 8.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -108.36 115.37 29.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 48' ' ' SER . 1.5 tmtt? -113.05 142.66 45.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.413 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -96.09 136.23 36.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -91.27 -21.73 20.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.72 -48.41 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.8 p -116.44 -31.46 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.423 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.96 19.38 15.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -177.37 5.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.783 . . . . 0.0 110.367 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.66 107.57 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.4 mt -52.82 -33.05 47.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.05 -161.92 24.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.562 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 29.1 mm -101.24 160.19 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 87.3 m-85 -158.8 126.05 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 60' ' ' LYS . 43.6 mt -47.29 146.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.418 ' N ' HG22 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -102.88 -49.56 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.41 150.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.948 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.77 137.16 22.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 63' ' ' ILE . 2.2 mp -91.94 108.72 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -65.16 166.41 9.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.587 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.0 16.91 60.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.03 -155.42 9.41 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.13 -45.24 10.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.539 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . -60.87 -33.94 73.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -38.27 -42.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -54.69 -49.58 70.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' ARG . 44.9 t0 -81.36 -12.8 58.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -38.51 -28.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' ASP . 4.1 ttp180 -36.5 -32.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 72' ' ' GLY . 30.5 mt -64.06 -172.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.23 132.57 28.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER -38.87 159.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.98 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 76' ' ' MET . 1.8 m-20 77.42 49.08 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -112.47 97.02 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.458 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 44.1 tt0 -52.66 129.18 28.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 88' ' ' LEU . 7.0 mp -94.0 88.56 5.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.456 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 21.4 pt -66.5 -11.41 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 177.18 -175.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.417 ' CG1' HD12 ' A' ' 88' ' ' LEU . 2.6 p -164.84 120.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.407 ' ND2' ' HB2' ' A' ' 103' ' ' SER . 2.9 m-20 58.74 24.59 12.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.03 -8.24 76.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.85 123.66 33.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.27 166.53 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 80' ' ' LEU . 50.9 mt -141.55 -46.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' A' ' 81' ' ' ILE . 3.3 mt -49.55 -36.92 25.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.42 -26.43 71.77 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 88' ' ' LEU . 6.5 mttt -90.35 -170.77 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.52 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -102.17 -169.93 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.971 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -72.87 -27.97 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 14.1 p-80 -84.95 -68.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.597 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.431 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 6.5 mt-10 -39.6 -63.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -39.71 -69.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 51.0 mmm -48.49 -31.2 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -70.29 -28.25 65.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 96' ' ' ALA . 3.0 m -75.51 -46.59 31.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.7 tp -47.95 -68.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.477 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 24.1 ptt180 -50.4 -21.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 106' ' ' MET . 3.6 ttt85 -77.09 -55.38 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -61.28 -13.11 16.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.969 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.477 ' CE ' ' HA ' ' A' ' 101' ' ' ARG . 14.1 mtt -72.12 -52.43 16.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.482 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.6 OUTLIER -97.11 -28.54 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.49 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -74.81 -61.72 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 111.023 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 111' ' ' ARG . 14.3 mt-10 -77.5 -37.4 51.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.5 -9.5 55.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.0 OUTLIER -70.9 -50.08 38.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.42 HG12 ' N ' ' A' ' 111' ' ' ARG . 0.3 OUTLIER -97.9 -35.83 5.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 107' ' ' GLU . 1.7 mmt180 -71.83 -47.59 52.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.25 11.03 73.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.33 176.52 9.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.467 ' CG2' HD21 ' A' ' 39' ' ' LEU . 16.2 tt -138.28 139.69 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.469 ' OE1' ' CG2' ' A' ' 26' ' ' THR . 2.1 tt0 -106.37 149.62 26.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.402 ' N ' ' HG3' ' A' ' 115' ' ' GLN . 35.5 mt -131.0 123.04 27.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 4.7 t -103.59 120.07 53.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.6 pp -113.09 156.13 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -127.23 121.21 30.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.1 ttm-85 -134.44 130.36 36.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -60.43 158.93 11.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -69.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.066 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 153.95 71.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.38 7.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.9 170.76 4.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.94 113.59 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.98 154.7 21.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.777 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -54.56 140.08 36.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.049 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.49 171.29 17.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -122.5 173.82 7.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 0.756 . . . . 0.0 110.052 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -89.62 173.03 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.82 -126.72 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -174.69 135.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -40.55 150.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.86 163.06 11.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -91.68 116.49 66.55 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -42.68 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.556 1.819 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -171.8 150.23 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 15' ' ' TYR . 18.3 m -52.61 125.05 15.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 108.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.411 ' O ' ' O ' ' A' ' 14' ' ' CYS . 2.5 t80 56.47 114.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.97 108.79 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 pp -162.04 155.56 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.54 145.2 49.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -101.93 164.14 11.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -78.61 147.2 33.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.84 151.92 30.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.0 m -65.24 -178.39 0.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -98.83 132.67 44.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.313 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -137.21 137.79 39.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 mt -126.31 144.78 50.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.479 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 84.9 m -125.79 109.43 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.42 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -113.76 121.25 43.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -90.7 144.73 25.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.511 ' CD1' ' CB ' ' A' ' 71' ' ' ASP . 43.8 mt -132.55 126.31 20.04 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.475 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -74.97 146.76 33.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.794 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.477 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 26.0 mt -125.07 37.93 4.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 1.4 p30 -64.43 -61.99 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.8 OUTLIER -97.59 -23.18 16.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 15.4 t -75.99 -51.33 12.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.477 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -36.98 -46.93 1.26 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -39.11 -51.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.025 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.87 -41.01 9.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.93 -178.28 18.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.512 ' CD1' ' SD ' ' A' ' 104' ' ' MET . 30.2 mt -42.56 -69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.29 12.56 17.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.465 HG12 ' CB ' ' A' ' 68' ' ' ALA . 2.7 m -120.93 156.81 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.424 ' C ' ' CD2' ' A' ' 43' ' ' LEU . 9.8 t -115.36 143.58 45.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.468 ' HB2' ' CE ' ' A' ' 97' ' ' MET . 2.7 mt -118.5 171.0 8.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.05 142.4 50.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.28 129.99 10.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -116.11 143.31 45.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 0.762 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.44 147.46 52.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.86 128.06 56.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.025 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -85.35 -45.99 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -48.02 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 48.1 p -63.47 -42.39 98.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.15 47.44 4.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.443 1.09 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.9 m -143.44 169.75 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -95.79 98.52 10.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' ASP . 79.7 mt -40.44 -38.31 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.15 -149.41 19.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.436 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 28.6 mm -116.57 146.86 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 0.725 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.439 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 6.1 m-85 -136.54 137.58 40.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 60' ' ' LYS . 43.3 mt -57.64 146.62 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.433 ' N ' HG23 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -96.16 -55.36 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.89 147.84 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.5 mp -88.11 135.43 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.8 mp -92.92 97.25 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.547 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -54.48 167.31 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.612 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.547 ' N ' ' CG ' ' A' ' 64' ' ' HIS . . . 66.79 19.36 69.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.52 -155.34 8.75 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' CB ' ' HB2' ' A' ' 34' ' ' SER . . . -85.88 -50.29 7.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.79 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.465 ' CB ' HG12 ' A' ' 41' ' ' VAL . . . -56.96 -33.04 66.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -38.03 -40.62 0.49 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -53.94 -50.28 66.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.511 ' CB ' ' CD1' ' A' ' 29' ' ' ILE . 27.9 t0 -81.85 -13.1 58.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -37.89 -29.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -37.11 -31.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.271 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' GLY . 25.2 mt -66.96 -172.49 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.465 ' CD ' ' N ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -138.59 139.05 38.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.417 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -47.15 175.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 61.37 33.53 18.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -99.64 92.16 5.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -45.73 131.95 8.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.261 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.454 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 5.4 mp -91.79 112.69 24.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 10.9 pt -97.63 11.81 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 162.13 177.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.456 ' CG2' HD11 ' A' ' 100' ' ' LEU . 2.7 p -166.0 115.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 107' ' ' GLU . 0.7 OUTLIER 66.8 10.97 7.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.25 -21.82 21.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 83' ' ' VAL . 1.6 tt0 -80.79 134.53 35.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.788 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.91 163.95 26.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.419 HD13 ' CB ' ' A' ' 80' ' ' LEU . 96.5 mt -130.42 -45.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.454 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 4.6 mt -46.37 -38.37 8.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.27 -37.05 93.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 88' ' ' LEU . 5.8 mttt -76.46 -177.18 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.534 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 1.9 m -104.75 173.69 6.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -49.15 -46.47 45.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 5.2 p-80 -68.1 -76.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.597 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.453 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 9.7 mt-10 -36.94 -58.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -36.16 -70.1 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 21.8 mmm -53.97 -33.4 56.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 95' ' ' GLU . 18.0 mm-40 -66.94 -40.53 87.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 95' ' ' GLU . 1.3 m -59.94 -35.47 75.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 83' ' ' VAL . 8.5 tp -56.43 -74.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -48.01 -30.31 4.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.485 ' C ' ' CD ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -63.66 -65.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -56.89 -35.44 68.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.512 ' SD ' ' CD1' ' A' ' 39' ' ' LEU . 29.2 mtp -57.39 -29.76 64.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.451 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 93.2 p -95.65 -41.99 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.405 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -84.44 -67.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 29.1 mm-40 -54.81 -23.25 17.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.427 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.07 -7.32 59.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.11 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.7 m-20 -86.3 -53.99 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -76.03 -39.01 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -82.87 -69.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 120.05 4.66 11.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.475 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 8.1 ptp -152.62 -171.17 3.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.489 ' CD1' ' HG3' ' A' ' 104' ' ' MET . 15.3 tt -147.18 163.61 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.479 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 10.1 tt0 -131.14 150.07 52.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 58.8 mt -127.79 126.84 42.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.5 t -112.33 111.01 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.4 pp -105.79 158.92 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -136.08 121.7 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.44 144.95 46.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.04 150.7 31.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.9 m -97.97 -40.81 8.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.961 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -69.09 -83.05 0.17 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 50.53 2.55 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.58 1.832 . . . . 0.0 111.053 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.27 80.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.943 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.1 t -125.58 116.01 21.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.52 150.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.53 165.98 34.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.94 173.54 36.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -142.23 160.85 39.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.7 -58.54 3.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.03 65.68 2.94 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.448 1.092 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.63 -62.43 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.804 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -137.96 139.16 39.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -138.87 74.96 0.38 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.12 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -120.9 153.79 57.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -37.79 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.553 1.817 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.18 -53.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.56 137.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.92 141.92 27.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.06 143.83 3.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.6 mt -107.63 -108.0 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.16 163.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.5 tp -84.5 -67.38 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.47 135.54 36.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 t -153.92 145.58 23.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.2 m -86.82 -175.76 5.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -100.75 121.19 41.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -125.85 146.06 49.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.1 mt -140.25 140.88 35.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.413 ' CG2' ' NE2' ' A' ' 115' ' ' GLN . 88.6 m -122.9 113.38 19.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.422 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -110.47 141.97 42.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.23 126.53 54.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mt -122.87 122.25 27.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.477 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.0 Cg_endo -75.07 143.46 28.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.444 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 23.3 mt -120.31 39.87 3.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 1.4 p30 -62.47 -63.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.95 -25.7 14.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -72.94 -42.84 63.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.444 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -36.19 -38.61 0.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.0 t -39.68 -64.95 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.61 -21.52 18.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 115.72 -172.22 14.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD2' HG22 ' A' ' 114' ' ' ILE . 16.5 mt -38.85 -70.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.64 29.33 2.48 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.516 ' CG1' ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -122.71 158.01 27.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.07 128.89 56.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.477 ' HB2' ' CE ' ' A' ' 97' ' ' MET . 2.5 mt -114.62 173.11 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.72 139.93 29.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.62 129.62 9.97 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -107.79 135.11 49.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -124.37 147.77 47.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.82 140.57 48.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.13 . . . . 0.0 110.032 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -42.79 12.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.75 -60.3 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.4 p -89.86 -12.14 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.361 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.04 30.09 66.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.2 m -121.13 167.02 13.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.384 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.47 117.21 25.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -57.48 -30.97 65.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.36 -150.7 20.1 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.487 1.117 . . . . 0.0 111.048 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.547 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 50.1 mm -116.81 147.69 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 6.1 m-85 -143.68 149.03 36.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 60' ' ' LYS . 38.1 mt -72.82 147.11 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.423 ' N ' HG23 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -99.2 -53.76 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.79 149.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.021 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.6 mp -89.79 142.6 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.9 mp -94.45 145.95 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.478 ' CD2' ' N ' ' A' ' 65' ' ' GLY . 7.1 t60 -98.27 156.58 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.649 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.478 ' N ' ' CD2' ' A' ' 64' ' ' HIS . . . 79.29 15.1 80.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -131.07 -154.79 7.99 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.83 -59.07 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.516 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . -40.74 -44.48 2.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' ALA . 6.0 t80 -35.6 -46.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -54.14 -54.14 43.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 73' ' ' ARG . 29.5 t70 -75.13 -12.89 60.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -36.56 -31.29 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 71' ' ' ASP . 6.6 ptp180 -38.21 -30.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 110.266 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' GLY . 32.6 mt -64.61 -177.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -131.81 130.63 42.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.24 179.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 63.22 24.31 14.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.0 116.9 28.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -71.04 129.33 38.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 80' ' ' LEU . 7.4 mp -91.81 102.21 14.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.497 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 12.1 pt -82.34 3.87 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 163.69 177.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.462 ' CG2' HD13 ' A' ' 100' ' ' LEU . 2.5 p -161.65 122.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 60.31 16.01 5.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.0 -14.58 55.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -82.38 135.14 35.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.88 168.62 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 91' ' ' LYS . 24.8 mt -140.95 -47.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.9 mt -47.15 -39.51 13.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.2 -30.41 77.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 88' ' ' LEU . 7.4 mttt -87.7 -172.87 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.4 m -100.84 -173.76 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -69.86 -28.71 65.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -85.02 -66.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.629 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.4 mt-10 -41.88 -60.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -39.62 -70.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.477 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 42.1 mmm -46.44 -38.75 9.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -30.9 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -77.44 -50.12 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.361 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.462 HD13 ' CG2' ' A' ' 83' ' ' VAL . 8.5 tp -40.74 -73.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.472 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 36.4 ttp85 -45.95 -54.83 7.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.23 -42.15 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -67.2 -48.53 67.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.475 ' HG3' ' CD1' ' A' ' 114' ' ' ILE . 11.9 mtt -46.88 -27.46 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.468 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.3 OUTLIER -97.01 -36.48 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.496 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -72.92 -57.4 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 5.0 mm-40 -71.18 -40.31 71.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.479 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -67.57 -7.23 46.26 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 105' ' ' SER . 3.7 m-20 -87.91 -66.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 0.733 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 106' ' ' MET . 0.3 OUTLIER -78.16 -40.27 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -84.39 -70.97 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.479 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 109.4 8.97 26.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.477 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 2.3 mtm -143.72 165.55 27.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.475 ' CD1' ' HG3' ' A' ' 104' ' ' MET . 7.1 tt -135.49 143.34 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.413 ' NE2' ' CG2' ' A' ' 26' ' ' THR . 18.8 tt0 -114.62 140.15 49.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 43.6 mt -122.1 121.12 36.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 15.9 t -101.97 113.51 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.3 pp -109.34 162.07 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -143.11 120.53 11.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -122.18 156.24 34.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -82.62 -177.86 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.4 p -57.94 -60.71 3.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 162.52 68.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 1.97 7.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.4 m -107.79 168.59 9.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.19 146.94 28.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.555 1.159 . . . . 0.0 110.97 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -177.43 140.93 0.29 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 0.795 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 p -172.6 126.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.005 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.66 -152.25 28.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -149.01 156.71 42.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.024 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 m -161.39 120.32 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.86 131.65 8.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.133 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.92 85.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 176.29 8.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.11 -156.49 21.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -109.33 148.14 37.43 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -55.02 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.49 1.784 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.405 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 0.5 OUTLIER 50.76 93.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.1 m -91.57 102.23 14.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.273 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.405 ' CD1' ' OD1' ' A' ' 13' ' ' ASP . 10.4 p90 -175.82 158.46 2.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -135.7 72.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt 55.85 175.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.97 160.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mt -42.49 121.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -92.76 166.02 12.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.0 p -140.66 136.19 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.3 m -95.16 169.94 9.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -102.98 154.39 19.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.91 142.35 44.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.7 mt -123.58 125.66 45.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.504 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 16.1 m -104.28 104.2 14.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.411 ' N ' HD21 ' A' ' 27' ' ' LEU . 1.9 mm? -105.35 120.83 42.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -93.2 144.94 24.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.472 HG21 ' CD2' ' A' ' 39' ' ' LEU . 61.4 mt -137.56 120.36 11.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.458 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.4 Cg_endo -74.98 147.38 33.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 40.0 mt -128.48 49.79 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.449 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 27.8 m-80 -82.36 -62.34 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -87.19 -37.72 17.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.92 -28.87 60.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.03 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -43.36 -40.5 4.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' GLY . 7.7 t -38.79 -58.35 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.05 -38.39 11.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.33 -175.15 17.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.102 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 29' ' ' ILE . 26.8 mt -41.19 -69.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.84 53.52 1.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.446 1.092 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.406 ' CG1' ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -142.31 155.75 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.415 ' C ' ' CD2' ' A' ' 43' ' ' LEU . 2.5 t -115.69 135.58 53.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.415 ' CD2' ' C ' ' A' ' 42' ' ' SER . 2.6 mt -117.01 179.09 4.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -139.1 140.04 37.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.79 127.17 9.16 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -113.67 134.67 54.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -118.88 147.6 43.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.52 136.19 53.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.75 -39.55 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -45.93 -66.28 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.2 p -70.06 -24.86 63.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.01 22.45 63.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 54' ' ' ASP . 1.6 t -126.15 -162.45 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 110.44 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.437 ' N ' ' CG2' ' A' ' 53' ' ' THR . 0.4 OUTLIER -111.88 124.67 52.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.8 mt -54.13 -46.87 72.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.51 -140.44 9.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.436 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 19.7 mm -128.06 145.43 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.472 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 5.1 m-85 -136.72 140.0 42.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.438 HG21 ' N ' ' A' ' 60' ' ' LYS . 35.1 mt -65.57 146.54 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' N ' HG21 ' A' ' 59' ' ' ILE . 0.5 OUTLIER -96.04 -53.87 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.15 155.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.412 ' CG1' ' HA2' ' A' ' 72' ' ' GLY . 2.8 mp -94.4 138.85 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.8 mp -93.56 137.01 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -89.35 151.22 22.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.553 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.68 15.86 62.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.5 -161.25 9.9 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.35 -46.25 14.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 72' ' ' GLY . . . -50.13 -44.19 52.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' ALA . 4.3 t80 -36.34 -44.12 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -56.29 -53.59 55.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 73' ' ' ARG . 26.2 t0 -75.09 -13.13 60.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . -37.06 -31.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' ASP . 5.4 ptt180 -38.75 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' GLY . 27.4 mt -63.12 179.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.63 120.2 24.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -42.86 166.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 111.043 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 76' ' ' MET . 2.0 m120 82.01 -1.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.58 123.96 20.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -74.39 132.55 42.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 80' ' ' LEU . 7.1 mp -92.82 123.35 36.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 18.6 pt -113.39 7.62 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 165.52 171.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.431 ' CG2' HD12 ' A' ' 100' ' ' LEU . 4.0 p -164.28 119.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.414 ' ND2' ' HB2' ' A' ' 107' ' ' GLU . 1.0 OUTLIER 60.18 26.56 15.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.46 -2.19 82.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -84.09 162.55 20.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.55 139.57 41.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.0 mt -115.93 -38.37 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 81' ' ' ILE . 4.7 mt -55.87 -38.0 69.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.34 -23.58 74.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -95.85 -173.27 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -102.19 -178.56 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.138 . . . . 0.0 110.004 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -60.16 -38.49 83.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 9.0 p-80 -76.35 -73.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.649 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.452 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 11.3 mt-10 -37.15 -58.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -39.85 -72.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 96' ' ' ALA . 37.1 mmm -36.62 -50.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 1.1 mm-40 -53.43 -52.9 57.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -50.04 -23.01 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.431 HD12 ' CG2' ' A' ' 83' ' ' VAL . 11.9 tp -68.89 -73.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -51.63 -21.32 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 5.9 mmt180 -69.64 -67.26 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.5 m -49.16 -29.37 5.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 13.1 mtt -60.28 -44.2 95.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.446 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.4 OUTLIER -92.71 -16.09 25.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.03 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -58.46 2.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.567 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 5.4 mm-40 -74.48 -29.39 61.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.47 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -68.78 -6.98 53.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 105' ' ' SER . 10.4 m-20 -89.15 -67.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.451 HG12 ' N ' ' A' ' 111' ' ' ARG . 0.3 OUTLIER -75.98 -39.96 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.567 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.9 OUTLIER -86.51 -70.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.47 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 109.42 21.15 7.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.458 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 11.3 ptm -164.29 174.96 10.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.469 ' CG2' HD23 ' A' ' 39' ' ' LEU . 14.9 tt -137.96 158.02 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.504 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 9.1 tt0 -124.15 152.19 43.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.0 mt -126.8 130.66 50.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.6 t -114.9 112.36 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -111.29 156.69 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -122.98 129.34 51.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.04 106.96 9.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -61.0 172.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.22 -58.26 8.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -130.1 135.54 8.41 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 65.53 6.09 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.53 131.91 43.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.5 m 60.69 -92.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -127.59 169.78 13.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 110.034 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -158.12 163.97 37.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.17 -171.28 23.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.81 165.62 24.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 0.753 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 m -164.18 135.15 4.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.12 94.21 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.66 -63.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -70.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.49 -104.76 0.31 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 45.59 89.39 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 58.0 4.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 47.71 80.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.8 p -111.81 -40.94 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 108.302 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.2 t80 53.01 171.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.49 83.41 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pp -140.37 -175.49 4.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 178.59 134.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 mp -105.08 151.4 24.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 156.42 18.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.6 p -104.34 84.34 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.3 m -112.33 163.21 14.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.012 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -101.23 129.4 47.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -123.24 138.78 54.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.474 ' HB2' ' CG1' ' A' ' 118' ' ' ILE . 24.8 mt -123.2 114.98 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.5 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 91.6 m -99.26 112.07 24.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -113.03 137.96 50.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -114.02 124.7 52.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.4 mt -115.61 127.51 26.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.443 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.1 Cg_endo -74.99 143.85 29.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.3 mt -119.02 35.92 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.427 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 65.6 m-80 -65.71 -62.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -96.52 -28.28 14.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -75.78 -30.4 59.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.14 -35.11 6.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.9 p -39.22 -69.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.037 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.34 -12.99 26.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.86 -174.64 18.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD11 ' CE ' ' A' ' 104' ' ' MET . 20.4 mt -40.46 -66.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 0.78 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.06 34.1 2.23 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.487 HG11 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -123.53 158.88 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.776 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.469 ' C ' ' CD2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -123.38 137.35 54.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.469 ' CD2' ' C ' ' A' ' 42' ' ' SER . 2.2 mt -118.79 160.22 22.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.42 136.41 50.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.85 134.35 13.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -116.7 118.92 33.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.99 149.92 34.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.57 140.38 49.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.988 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.21 -26.76 18.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -45.21 84.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.2 p -108.31 -9.5 15.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.04 28.73 58.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.2 m -112.85 169.48 8.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.382 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -96.36 111.6 23.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.93 -39.44 81.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.25 -149.22 20.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.455 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 50.1 mm -106.69 153.41 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 37.0 m-85 -146.01 142.99 29.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 78' ' ' ASP . 27.1 mt -58.86 146.24 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.474 ' N ' HG21 ' A' ' 59' ' ' ILE . 13.2 tttt -102.54 -50.6 3.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.47 ' HA ' ' CG ' ' A' ' 76' ' ' MET . 54.8 p 176.65 127.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.1 mp -70.03 132.55 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.1 mp -83.06 99.91 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -61.85 170.16 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.606 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.585 ' N ' ' CG ' ' A' ' 64' ' ' HIS . . . 54.85 24.62 34.4 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.25 -144.91 5.94 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.88 -62.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.487 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . -49.87 -34.12 19.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' ALA . 10.9 t80 -34.79 -39.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -54.7 -72.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 73' ' ' ARG . 10.1 t70 -67.07 -12.56 60.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -41.55 -25.31 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.436 ' N ' ' C ' ' A' ' 71' ' ' ASP . 8.0 ptm180 -38.45 -28.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 72' ' ' GLY . 25.9 mt -58.17 173.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 76' ' ' MET . 6.7 mtt180 -118.42 129.16 55.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.47 ' CG ' ' HA ' ' A' ' 61' ' ' SER . 2.6 mtm -45.5 174.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 68.28 35.5 3.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.487 ' HB3' ' CD1' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -98.56 122.85 42.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -81.66 114.08 20.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' CD2' HD11 ' A' ' 100' ' ' LEU . 5.9 mp -71.02 106.4 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.449 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 21.5 pt -90.96 3.5 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 166.88 168.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 3.5 p -160.92 125.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 59.39 17.41 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.63 -13.25 64.23 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.427 1.079 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -84.5 135.22 34.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.06 163.07 26.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 91' ' ' LYS . 83.5 mt -133.15 -46.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.9 mt -48.19 -40.79 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.71 -28.3 72.37 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' LEU . 9.1 mttm -90.75 -173.87 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.58 174.37 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.023 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -53.94 -40.41 66.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -71.14 -72.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.595 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -40.17 -60.26 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -40.45 -72.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.0 mmm -43.81 -49.46 8.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -56.75 -34.48 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.429 ' N ' ' HG3' ' A' ' 98' ' ' GLU . 0.9 OUTLIER -74.7 -27.99 60.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.468 HD11 ' CD2' ' A' ' 80' ' ' LEU . 10.2 tp -65.27 -71.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -53.75 -19.09 3.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 106' ' ' MET . 0.0 OUTLIER -77.75 -53.59 7.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.453 ' CA ' ' HB2' ' A' ' 107' ' ' GLU . 27.5 m -63.3 -12.17 27.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.467 ' CE ' HD11 ' A' ' 39' ' ' LEU . 22.3 mtt -71.67 -53.07 14.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.456 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.5 OUTLIER -97.42 -29.93 13.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.517 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -75.69 -58.23 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.453 ' HB2' ' CA ' ' A' ' 103' ' ' SER . 16.1 mt-10 -80.47 -20.22 44.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.11 -8.71 64.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.4 m-20 -69.56 -51.89 31.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 0.737 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.05 -34.67 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -79.0 -66.82 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.38 11.93 10.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.12 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.443 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 1.5 ptm -167.1 178.74 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.462 ' CG2' HD23 ' A' ' 39' ' ' LEU . 12.9 tt -138.36 150.64 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.5 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 19.5 tt0 -116.97 151.79 35.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 81.2 mt -131.23 132.87 44.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 10.4 t -112.35 108.47 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.474 ' CG1' ' HB2' ' A' ' 25' ' ' LEU . 1.6 pp -103.74 148.71 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -122.47 134.25 54.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.33 163.83 25.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -142.0 -56.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.8 t -97.22 -34.32 11.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.44 -108.74 3.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 70.24 5.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.67 95.17 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.7 m -126.48 81.67 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.133 . . . . 0.0 111.01 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 t -153.18 -59.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.32 170.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.04 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.74 -163.22 0.07 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.77 166.66 7.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 t 62.0 144.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.973 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.33 -118.43 0.93 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.451 1.094 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -171.62 127.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -112.72 177.12 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.39 -158.31 10.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -133.61 154.55 80.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 0.786 . . . . 0.0 110.249 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.67 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.17 148.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.9 p -135.01 164.45 27.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 108.253 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.16 45.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.65 138.9 58.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -142.52 175.29 9.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.36 125.73 41.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.42 158.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.8 172.06 14.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.4 p -164.96 172.76 12.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.5 m -49.67 174.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.036 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -122.28 120.48 34.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -113.75 142.63 45.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.241 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.2 mt -132.55 129.94 39.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.3 m -114.23 108.31 16.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.51 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -115.91 125.65 52.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -89.86 147.04 24.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.263 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.47 ' CD1' ' OD2' ' A' ' 71' ' ' ASP . 68.9 mt -139.29 114.61 8.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -75.02 133.0 16.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.48 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 16.6 mt -111.89 52.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.412 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 69.4 m-80 -78.19 -63.18 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.97 -31.53 14.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -37.68 60.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -49.18 -37.61 24.18 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -38.76 -67.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 0.72 . . . . 0.0 109.964 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.99 -33.78 19.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 136.85 175.8 14.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.484 HD23 ' CG2' ' A' ' 114' ' ' ILE . 20.2 mt -40.31 -70.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.5 47.2 0.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.565 ' CG1' ' CB ' ' A' ' 68' ' ' ALA . 4.4 m -136.68 149.07 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.519 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -102.85 123.05 45.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.478 ' CB ' ' HE1' ' A' ' 97' ' ' MET . 13.8 mt -111.59 179.28 4.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -150.99 136.22 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.65 140.71 15.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -130.88 137.96 49.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.322 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.56 152.65 51.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.39 134.41 54.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.22 -47.43 7.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.62 -68.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.4 p -62.76 -42.66 99.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.24 37.61 5.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.41 167.72 21.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 110.413 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -93.84 109.48 21.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' ASP . 91.7 mt -40.22 -44.03 1.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.536 ' O ' ' CZ ' ' A' ' 58' ' ' PHE . . . 129.08 149.86 6.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.62 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 51.9 mm -55.55 148.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 57' ' ' ILE . 18.9 m-85 -144.01 126.49 15.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 60' ' ' LYS . 50.1 mt -61.59 147.02 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.1 tttp -95.27 -55.83 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -175.31 159.73 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.7 mp -100.02 139.39 21.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.429 ' CD1' ' HA ' ' A' ' 41' ' ' VAL . 3.4 mp -93.38 111.95 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -65.13 -177.42 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.601 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.24 29.49 3.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.8 -151.74 5.93 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.05 -63.62 1.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 0.756 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.565 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . -44.88 -31.96 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -42.5 -40.59 2.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -57.33 -42.63 82.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 73' ' ' ARG . 5.5 t0 -88.12 -12.42 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . -36.51 -30.9 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -38.98 -29.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' GLY . 30.6 mt -64.47 -178.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -133.37 126.59 31.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.409 ' O ' ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -42.0 165.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 76' ' ' MET . 5.4 m-20 75.71 17.02 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -79.41 115.79 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -70.63 115.76 10.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.434 ' HB3' ' CD1' ' A' ' 88' ' ' LEU . 7.8 mp -82.32 92.3 6.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.521 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 5.4 pt -71.4 -41.28 73.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . -144.14 174.15 11.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.451 HG22 ' CD1' ' A' ' 100' ' ' LEU . 1.9 p -159.47 122.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.56 16.12 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.13 -18.25 42.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 53.3 mm-40 -65.73 159.33 25.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -106.98 127.77 53.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.348 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 80' ' ' LEU . 35.6 mt -103.62 -19.75 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.521 ' CD2' ' HA ' ' A' ' 81' ' ' ILE . 3.9 mt -55.34 -67.68 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.85 -23.63 5.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -91.34 -176.3 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -116.57 -155.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.974 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.466 ' HA ' ' CD1' ' A' ' 57' ' ' ILE . 6.6 m120 -71.12 -60.58 2.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -53.89 -69.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.606 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.6 mt-10 -38.15 -68.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -39.12 -68.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.478 ' HE1' ' CB ' ' A' ' 43' ' ' LEU . 11.6 mmt -47.75 -42.99 26.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.494 ' OE2' ' CZ ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -61.09 -30.85 70.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -77.41 -43.19 33.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.469 ' HG ' ' CE ' ' A' ' 104' ' ' MET . 8.1 tp -52.77 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.86 -27.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.494 ' CZ ' ' OE2' ' A' ' 98' ' ' GLU . 2.0 ttp180 -67.44 -61.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 107' ' ' GLU . 17.2 m -52.92 -33.0 48.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.469 ' CE ' ' HG ' ' A' ' 100' ' ' LEU . 16.8 mtt -57.52 -38.01 73.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.474 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 2.4 m -97.0 -26.6 14.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.469 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -87.18 -68.52 0.74 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 23.5 mm-40 -58.66 -23.05 58.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.321 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.475 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -89.89 -7.08 68.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.163 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.9 m-20 -89.84 -55.96 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.482 HG12 ' N ' ' A' ' 111' ' ' ARG . 0.3 OUTLIER -78.87 -40.86 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.6 OUTLIER -94.04 -73.85 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.475 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 117.64 13.44 7.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.472 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 2.7 mtp -142.85 166.85 23.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.484 ' CG2' HD23 ' A' ' 39' ' ' LEU . 18.2 tt -146.06 138.1 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -108.72 145.83 34.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.2 mt -123.76 121.1 34.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 45.6 t -104.65 111.82 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 109.316 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -105.74 154.43 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -137.14 118.97 15.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -122.69 129.6 52.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.63 164.94 16.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 m -59.51 -63.02 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 144.67 -141.04 9.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 75.08 3.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.06 -55.55 2.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.8 p -105.42 121.39 43.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.55 160.78 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.65 131.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.977 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.87 101.04 1.38 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 m -148.14 78.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -141.63 152.67 44.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.968 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.74 127.54 2.98 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.453 1.095 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -158.98 -64.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -120.25 125.92 49.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.234 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.31 -128.63 1.58 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -133.68 126.28 18.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -43.28 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.797 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -177.36 99.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 15' ' ' TYR . 16.2 p -49.81 -41.78 45.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.436 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 20.9 t80 54.84 166.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.84 90.69 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt -57.94 100.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.59 142.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.04 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.22 139.15 31.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -157.71 110.12 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.8 m 67.26 114.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.1 m -119.52 168.27 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.948 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -105.79 156.78 17.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -145.66 143.93 30.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.42 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 53.3 mt -128.35 122.57 31.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.511 ' CG2' ' OE1' ' A' ' 115' ' ' GLN . 6.5 m -107.92 111.23 23.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.48 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -113.45 126.58 55.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' N ' ' OE1' ' A' ' 28' ' ' GLU . 4.8 mp0 -101.02 145.14 29.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.0 mt -133.94 130.83 20.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.438 ' HB2' ' ND2' ' A' ' 32' ' ' ASN . 18.2 Cg_endo -74.99 148.53 35.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.6 mt -123.57 35.38 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.438 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 1.3 p30 -60.18 -63.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -97.01 -27.38 14.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 t -73.32 -32.55 64.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.39 -34.52 6.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.24 -58.67 2.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.12 -45.87 7.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.35 -152.54 24.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.462 ' CD2' HG22 ' A' ' 114' ' ' ILE . 19.2 mt -58.69 -66.42 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 0.763 . . . . 0.0 109.374 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.79 29.73 4.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.516 ' CG1' ' CB ' ' A' ' 68' ' ' ALA . 2.3 m -126.76 153.21 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.751 . . . . 0.0 109.357 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -103.08 128.03 50.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.506 ' HB2' ' CE ' ' A' ' 97' ' ' MET . 13.2 mt -114.91 -179.93 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.87 143.84 22.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.77 131.64 10.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.58 151.61 33.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -136.22 150.02 48.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.07 123.94 43.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -91.11 -28.32 17.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -52.02 67.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 p -86.89 -22.68 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.76 19.11 76.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.0 m -118.16 163.46 16.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.3 108.21 20.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.3 mt -41.53 -47.62 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.06 -142.15 13.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.548 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 34.6 mm -117.49 151.19 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 30.9 m-85 -150.74 143.15 24.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.487 HG21 ' N ' ' A' ' 60' ' ' LYS . 23.4 mt -67.17 149.55 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 76' ' ' MET . 12.6 tttt -105.21 -47.17 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.2 p 179.64 154.43 0.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 3.5 mp -96.92 139.16 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.0 mp -90.41 103.33 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -58.15 -173.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.621 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 41.32 35.98 1.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -141.79 -150.23 5.33 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.8 -64.09 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 0.809 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.516 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . -47.4 -32.92 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 68' ' ' ALA . 2.6 t80 -36.06 -39.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -53.67 -71.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 73' ' ' ARG . 8.4 t0 -66.13 -11.55 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -38.56 -27.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -36.71 -30.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.774 . . . . 0.0 110.349 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.9 mt -59.27 -174.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.46 127.96 21.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.523 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -43.29 167.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.96 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 76' ' ' MET . 3.2 m120 83.7 -5.25 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -70.95 94.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -50.97 139.45 17.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 80' ' ' LEU . 2.1 mp -93.23 104.94 17.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.429 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 30.6 pt -91.81 8.09 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 168.41 171.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.8 p -163.0 125.13 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.454 ' ND2' ' CB ' ' A' ' 107' ' ' GLU . 0.8 OUTLIER 55.28 26.14 8.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.14 -10.19 74.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 83' ' ' VAL . 35.0 tt0 -86.27 140.77 29.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.13 157.93 36.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.422 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.9 mt -128.66 -49.88 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.8 mt -47.92 -47.57 32.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.95 -32.27 56.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -84.46 -167.61 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 0.808 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.08 -168.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -72.04 -30.36 65.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -82.07 -69.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.573 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' THR . 4.2 mt-10 -39.68 -59.81 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -41.59 -72.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.506 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 15.2 mmt -49.09 -33.76 12.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -28.0 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -75.63 -41.75 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.386 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.9 tp -43.06 -72.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -48.7 -36.97 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -55.97 -54.86 39.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 107' ' ' GLU . 1.9 m -65.59 -38.73 90.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.488 ' HG3' ' CD1' ' A' ' 114' ' ' ILE . 20.3 mtp -60.45 -25.47 66.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.45 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.5 OUTLIER -96.83 -32.73 11.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.442 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -92.65 -68.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.525 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 3.2 mm-40 -54.3 -18.78 4.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.447 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.46 -5.79 60.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 105' ' ' SER . 4.0 m-20 -93.15 -56.63 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.479 HG12 ' N ' ' A' ' 111' ' ' ARG . 0.3 OUTLIER -74.98 -40.93 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -87.76 -71.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 121.15 9.72 7.16 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.453 1.096 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 5.4 ptm -156.02 173.12 17.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 0.815 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.488 ' CD1' ' HG3' ' A' ' 104' ' ' MET . 3.9 tt -133.52 148.44 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.511 ' OE1' ' CG2' ' A' ' 26' ' ' THR . 0.0 OUTLIER -111.34 147.18 35.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.5 mt -131.13 129.41 41.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.7 t -113.08 118.41 57.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -111.51 156.71 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -123.55 124.5 42.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.5 ttp85 -116.34 118.6 33.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.84 164.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.3 -49.51 64.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.95 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -140.16 -159.15 7.85 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 80.65 2.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.803 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.6 m -101.25 158.54 15.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.83 154.28 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.556 1.16 . . . . 0.0 110.958 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -177.98 150.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.91 169.16 5.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.08 179.29 48.05 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.8 164.04 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.79 152.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.42 119.47 1.75 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.78 106.5 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 0.797 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.05 167.74 15.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -176.19 167.78 39.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -162.22 64.65 1.68 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 62.43 5.88 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.554 1.818 . . . . 0.0 110.996 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -109.95 100.09 9.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.9 p -175.03 165.67 3.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.259 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -121.51 124.79 45.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.78 151.71 6.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 pp -132.78 165.08 25.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.1 t -148.54 122.13 9.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.75 168.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -52.38 127.25 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.8 t -172.96 157.62 3.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.3 m -50.29 175.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.055 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.443 ' O ' ' CD2' ' A' ' 119' ' ' LEU . 1.5 mt-10 -101.94 156.74 17.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.401 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -134.1 143.81 48.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.268 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 31.6 mt -126.01 147.97 49.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.497 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 86.8 m -133.08 112.68 11.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -114.68 124.74 52.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -88.02 142.73 27.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.421 ' CG2' ' CD2' ' A' ' 39' ' ' LEU . 55.8 mt -132.76 127.21 20.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.485 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -75.01 138.15 22.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.428 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 10.7 mt -118.31 36.36 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 1.3 p30 -62.22 -63.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -97.12 -29.03 13.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.6 OUTLIER -72.46 -36.09 68.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -45.06 -34.63 4.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m -39.83 -70.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.78 -12.14 27.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' SER . . . 112.81 -173.47 15.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.48 HD22 ' CG2' ' A' ' 114' ' ' ILE . 16.2 mt -40.45 -64.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.44 38.77 2.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.407 ' HA ' ' CD1' ' A' ' 63' ' ' ILE . 3.9 m -138.3 150.02 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.424 ' C ' ' CD2' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -100.92 146.58 27.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.424 ' CD2' ' C ' ' A' ' 42' ' ' SER . 3.5 mt -121.03 168.75 11.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.23 152.37 44.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.4 131.22 9.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -113.04 132.64 55.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 0.797 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.79 148.24 43.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.58 137.72 54.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -90.93 -36.94 13.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -53.36 -56.33 17.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.7 p -77.24 -32.53 55.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.21 44.6 17.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.576 1.172 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.7 t -149.12 -167.21 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 110.398 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.41 109.29 21.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.5 mt -47.26 -47.8 24.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.07 -159.82 28.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.458 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 29.8 mm -114.05 143.03 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.756 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.51 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 2.8 m-85 -138.46 132.47 31.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.6 mt -50.56 146.76 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 76' ' ' MET . 1.2 tttt -100.06 -51.11 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.26 154.71 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.7 mp -99.49 138.97 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.407 ' CD1' ' HA ' ' A' ' 41' ' ' VAL . 3.7 mp -94.42 110.1 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -63.49 176.97 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 109.585 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 52.66 27.01 26.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.57 -155.53 7.51 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.34 -58.48 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -49.56 -35.78 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -38.27 -41.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -52.96 -50.53 63.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 73' ' ' ARG . 25.9 t0 -84.27 -13.24 53.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -36.81 -30.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' ASP . 12.5 ptm180 -38.13 -30.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' GLY . 24.5 mt -63.51 -178.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 76' ' ' MET . 2.8 mmm180 -131.52 130.1 41.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -42.93 167.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 76' ' ' MET . 4.4 m-20 82.85 0.21 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -65.56 101.03 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.54 130.7 47.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.405 ' HB3' ' CD1' ' A' ' 88' ' ' LEU . 7.1 mp -91.53 106.34 18.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.439 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 18.1 pt -89.61 2.75 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 166.24 -173.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 86' ' ' GLU . 2.6 p -169.3 121.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.415 ' ND2' ' HB3' ' A' ' 103' ' ' SER . 2.1 m-20 56.95 23.11 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.17 -11.93 65.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 83' ' ' VAL . 45.6 tt0 -81.32 142.3 33.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.1 160.93 23.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.433 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.405 ' CD1' ' HB3' ' A' ' 80' ' ' LEU . 96.4 mt -134.47 -46.69 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 mt -48.71 -38.3 21.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.58 -33.01 85.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.446 ' NZ ' ' OG1' ' A' ' 99' ' ' THR . 4.0 mttt -79.25 -175.03 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 75.0 m -102.89 172.05 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -52.57 -32.48 41.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 95' ' ' GLU . 86.4 t60 -81.04 -75.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.623 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' GLU . 10.2 mt-10 -37.88 -52.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.95 -67.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 40.6 mmm -55.9 -27.4 51.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 95' ' ' GLU . 7.7 mm-40 -73.1 -39.74 65.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.446 ' OG1' ' NZ ' ' A' ' 91' ' ' LYS . 0.9 OUTLIER -59.36 -30.26 68.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.458 ' HG ' ' CE ' ' A' ' 104' ' ' MET . 11.1 tp -60.58 -71.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -44.15 -32.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 8.5 mmt-85 -65.1 -58.21 6.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.415 ' HB3' ' ND2' ' A' ' 84' ' ' ASN . 1.3 m -54.07 -31.85 52.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.458 ' CE ' ' HG ' ' A' ' 100' ' ' LEU . 23.8 mtt -63.48 -51.54 65.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.449 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 1.7 m -73.21 -20.59 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -59.35 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 9.9 mm-40 -73.48 -40.28 64.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.417 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -67.17 -7.57 45.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.5 m-20 -81.45 -58.9 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.528 HG12 ' N ' ' A' ' 111' ' ' ARG . 0.3 OUTLIER -96.74 -43.66 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.557 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -70.78 -71.93 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.417 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 109.64 7.98 27.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.485 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -140.93 -179.46 6.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.48 ' CG2' HD22 ' A' ' 39' ' ' LEU . 17.1 tt -148.48 136.42 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.497 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 11.1 tt0 -105.64 141.77 36.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.0 mt -124.68 117.72 24.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 3.4 t -97.14 122.02 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.6 pp -115.36 164.48 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.443 ' CD2' ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -132.6 127.52 35.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -144.33 131.75 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -54.65 166.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.25 -42.16 39.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.034 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -127.67 148.51 17.63 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 60.15 5.38 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.44 117.19 25.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.2 t -173.18 110.12 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 68.07 138.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 110.043 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 178.01 168.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.042 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.83 118.73 0.73 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -167.25 132.37 2.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.773 . . . . 0.0 109.938 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -160.88 168.73 24.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.14 -124.09 2.08 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mp -151.25 116.15 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 109.35 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.82 171.98 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -133.17 -66.37 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 67.36 121.51 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 69.39 5.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.47 -55.17 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -48.05 146.25 2.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.313 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -142.77 173.39 11.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.08 106.3 6.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.83 162.06 27.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.34 150.56 48.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mp -83.01 159.18 22.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -42.2 132.9 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.73 140.34 9.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.031 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.44 ' HB2' ' CD2' ' A' ' 119' ' ' LEU . 11.1 p -65.3 177.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -125.54 123.23 38.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -129.64 142.25 50.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.7 mt -129.81 126.11 37.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.501 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 28.7 m -98.73 110.22 22.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -109.88 125.92 53.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -105.72 116.23 31.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 15.6 mm -110.91 126.21 29.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -74.98 142.14 27.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 39.2 mt -116.85 38.1 3.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -59.37 -63.39 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.56 -21.65 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' GLY . 2.5 t -74.51 -52.12 12.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.473 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -36.4 -44.93 0.9 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.51 -54.08 2.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.09 -38.16 11.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.12 -166.21 22.82 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' CD1' ' SD ' ' A' ' 104' ' ' MET . 26.5 mt -58.18 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.22 37.49 3.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.481 HG11 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -140.4 155.67 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.69 141.63 47.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.97 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 mt -119.23 169.64 9.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.94 136.88 46.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.47 129.87 10.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -115.47 138.98 50.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 tttt -126.15 149.26 49.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.6 131.9 54.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.052 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -51.76 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -41.4 -57.6 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.9 p -80.44 -45.5 17.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.63 4.45 60.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.095 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 m -100.48 160.85 14.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.358 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.53 117.58 22.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 94.9 mt -54.37 -38.33 65.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.61 -147.81 19.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.4 mm -117.26 136.17 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 78' ' ' ASP . 7.3 m-85 -126.17 126.66 44.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.529 HG21 ' N ' ' A' ' 60' ' ' LYS . 17.9 mt -53.01 147.87 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.529 ' N ' HG21 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -99.67 -57.05 2.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 p -178.57 148.84 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.2 mp -90.76 132.79 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.8 mp -86.63 147.84 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.91 176.25 6.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.75 24.45 60.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.57 -159.16 8.27 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.69 -55.18 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.779 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.481 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . -47.05 -38.95 11.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -38.88 -47.44 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -56.59 -46.11 81.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 68' ' ' ALA . 2.3 t0 -77.7 -12.89 60.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -39.2 -27.82 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -39.22 -28.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.316 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 72' ' ' GLY . 21.8 mt -66.47 175.26 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -121.58 126.07 48.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -178.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 66.57 17.67 10.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.604 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -78.89 -158.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -145.2 108.82 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' O ' ' CD2' ' A' ' 89' ' ' LEU . 6.5 mp -67.41 118.61 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 25.9 pt -106.38 5.64 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 164.64 174.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.403 ' CG2' HD11 ' A' ' 114' ' ' ILE . 2.5 p -163.5 119.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.402 ' ND2' ' HB3' ' A' ' 107' ' ' GLU . 0.6 OUTLIER 66.2 17.03 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.89 -13.44 62.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -82.18 143.11 31.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.28 159.11 30.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 55.9 mt -130.7 -45.85 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.4 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 3.4 mt -50.18 -40.04 45.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.58 -22.51 63.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.105 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -93.76 -164.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 3.9 m -111.69 -176.37 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -65.73 -22.28 66.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 4.8 p-80 -93.59 -74.03 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.634 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 94' ' ' HIS . 11.2 mt-10 -35.31 -45.69 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.89 -70.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 50.5 mmm -41.8 -36.94 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.18 -47.53 73.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 m -53.84 -33.3 55.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.8 tp -55.93 -73.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -50.03 -38.18 36.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -52.85 58.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.2 OUTLIER -68.33 -39.48 81.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.502 ' HG3' ' CD1' ' A' ' 114' ' ' ILE . 15.6 mtp -58.87 -26.17 63.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.8 p -95.67 -42.43 8.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.436 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -88.51 -67.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.513 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 4.7 mm-40 -54.31 -21.04 8.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.236 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.434 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.79 -6.37 59.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -89.68 -54.34 4.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -76.08 -40.3 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -84.5 -71.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 119.51 8.4 9.2 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.424 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 1.1 ptt? -156.92 174.44 15.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 0.794 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.502 ' CD1' ' HG3' ' A' ' 104' ' ' MET . 11.6 tt -137.02 147.85 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.501 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 6.6 tt0 -111.52 140.2 46.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 15.5 mt -121.58 119.01 30.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.455 ' CG1' HD12 ' A' ' 81' ' ' ILE . 21.1 t -102.87 112.25 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.2 pp -108.64 150.17 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' A' ' 22' ' ' SER . 3.1 tm? -123.03 129.3 51.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.01 130.74 48.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -176.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.56 -67.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.024 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -122.16 -162.87 11.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 79.86 2.56 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 90.8 p -89.89 110.84 21.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.52 118.75 2.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m 56.86 165.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.971 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.8 163.88 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.44 177.84 39.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -173.59 168.38 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 p -166.3 165.11 17.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.0 -140.3 14.98 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 66.53 131.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt 66.92 159.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.66 122.35 1.65 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.13 82.46 41.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 65.9 6.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -106.41 96.11 6.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.5 p -121.99 156.87 32.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 108.33 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -131.45 156.63 45.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.36 133.07 49.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mt -80.21 161.88 24.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.9 m -132.34 120.75 22.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mt -55.17 162.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -82.17 127.6 33.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.26 -178.06 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.007 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 p -138.65 171.04 14.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -112.32 124.26 52.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.82 141.03 52.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.6 mt -135.7 119.49 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.474 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 1.9 m -101.11 107.31 18.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -109.93 128.61 55.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.09 143.09 34.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.501 ' CD1' ' HB2' ' A' ' 71' ' ' ASP . 7.7 mm -135.84 133.34 19.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.433 ' HB2' ' ND2' ' A' ' 32' ' ' ASN . 18.2 Cg_endo -75.02 149.6 36.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.568 1.825 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.434 ' CD2' HD21 ' A' ' 39' ' ' LEU . 24.5 mt -130.65 53.66 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 22.7 m-80 -87.15 -57.64 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.39 -40.18 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -28.36 59.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -46.84 -39.38 11.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' GLY . 2.5 m -38.78 -56.89 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.02 -25.77 17.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 117.6 -171.2 13.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.468 ' CD2' HG23 ' A' ' 114' ' ' ILE . 24.7 mt -39.06 -68.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.78 44.13 1.34 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.477 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -143.5 157.5 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 0.728 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.419 ' C ' ' CD2' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -112.02 140.08 46.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.987 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.419 ' CD2' ' C ' ' A' ' 42' ' ' SER . 2.9 mt -118.98 175.51 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HE2' ' ND2' ' A' ' 77' ' ' ASN . 33.5 pttt -135.97 139.28 43.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.44 117.9 6.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -101.87 134.93 44.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -132.36 148.28 52.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.91 137.36 51.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -89.93 -36.48 14.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.243 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.99 -56.52 21.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.7 p -78.42 -23.36 46.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.68 41.73 98.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.1 m -141.44 159.66 41.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.756 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.44 113.99 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 61.5 mt -58.46 -36.76 74.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.8 -165.87 24.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 93' ' ' ASN . 30.0 mm -104.8 146.32 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -137.27 140.55 41.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 60' ' ' LYS . 39.2 mt -65.42 146.9 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.409 ' N ' HG23 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -97.06 -56.29 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 p -177.74 147.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.6 mp -86.5 137.62 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' A' ' 41' ' ' VAL . 3.6 mp -89.47 101.82 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.513 ' CD2' ' N ' ' A' ' 65' ' ' GLY . 7.1 t60 -64.97 155.33 34.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.587 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.513 ' N ' ' CD2' ' A' ' 64' ' ' HIS . . . 81.49 11.98 82.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.133 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.88 -150.54 7.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.48 -64.73 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.477 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -42.17 -34.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.475 ' CE1' ' ND1' ' A' ' 64' ' ' HIS . 6.8 t80 -38.11 -48.46 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -47.77 -71.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.501 ' HB2' ' CD1' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -63.33 -12.91 33.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' ALA . . . -37.37 -29.66 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.09 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.3 OUTLIER -39.48 -28.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 110.277 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.447 ' N ' ' C ' ' A' ' 72' ' ' GLY . 28.8 mt -65.19 171.34 3.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 76' ' ' MET . 1.6 mmt-85 -117.92 129.67 55.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.456 ' SD ' ' ND2' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -51.0 -175.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.456 ' ND2' ' SD ' ' A' ' 76' ' ' MET . 0.7 OUTLIER 60.97 14.54 5.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.4 127.31 32.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -79.84 130.91 35.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mp -87.19 97.04 10.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.434 HD13 ' CG1' ' A' ' 117' ' ' VAL . 21.9 pt -77.11 -4.91 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 81' ' ' ILE . . . 168.33 172.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.537 ' CG2' ' ND2' ' A' ' 84' ' ' ASN . 5.7 p -159.15 136.36 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.537 ' ND2' ' CG2' ' A' ' 83' ' ' VAL . 2.1 p30 43.7 52.7 6.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.23 23.05 46.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.579 1.175 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 83' ' ' VAL . 20.7 tt0 -113.94 145.59 41.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -83.44 149.77 26.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.455 HD13 ' CG1' ' A' ' 83' ' ' VAL . 40.4 mt -127.28 -49.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.3 mt -50.73 -36.91 38.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.54 -29.18 63.45 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -99.57 -167.39 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.783 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 80.0 p -108.97 -179.04 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.413 ' HA ' ' CD1' ' A' ' 57' ' ' ILE . 88.8 m-20 -54.39 -48.29 71.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -62.73 -74.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.633 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' GLU . 8.5 mt-10 -39.76 -63.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.76 -68.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.1 mmm -46.46 -34.0 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -64.73 -32.03 73.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 96' ' ' ALA . 1.3 m -74.7 -46.32 38.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.471 HD13 ' CG2' ' A' ' 83' ' ' VAL . 8.1 tp -48.9 -67.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.481 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 52.0 ttp180 -50.08 -61.5 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.304 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -46.5 -35.85 6.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.511 ' CB ' ' ND2' ' A' ' 84' ' ' ASN . 0.4 OUTLIER -68.18 -34.63 76.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.481 ' CE ' ' HA ' ' A' ' 101' ' ' ARG . 20.6 mtt -64.92 -30.37 71.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.43 -13.21 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.498 ' O ' ' CD1' ' A' ' 110' ' ' ILE . 3.6 mmt -95.78 -52.68 3.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.558 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 7.1 mm-40 -74.08 -43.99 55.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.486 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -68.67 -6.89 52.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -82.25 -57.87 3.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 106' ' ' MET . 0.3 OUTLIER -95.86 -41.57 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -76.34 -48.42 20.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.486 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 90.97 13.82 58.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 9.1 ptp -159.07 173.52 16.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.469 HD11 ' CG ' ' A' ' 104' ' ' MET . 18.0 tt -138.65 140.07 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.474 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 14.1 tt0 -99.43 153.06 19.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.42 ' N ' ' HG2' ' A' ' 115' ' ' GLN . 37.9 mt -137.6 118.56 14.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.434 ' CG1' HD13 ' A' ' 81' ' ' ILE . 5.0 t -101.16 123.86 54.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -118.16 151.46 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -131.48 116.37 17.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -114.69 134.07 55.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -61.26 162.62 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 110.26 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 57.7 p -52.08 -54.77 26.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -135.38 -145.33 5.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 125' ' ' SER . 18.3 Cg_endo -75.03 -29.8 7.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 124' ' ' PRO . 0.5 OUTLIER 47.45 96.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.95 101.78 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.145 . . . . 0.0 111.056 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m 63.47 131.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 110.041 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.34 142.75 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.77 128.33 0.95 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.38 137.8 9.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 0.789 . . . . 0.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.08 169.79 20.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.77 91.32 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp 68.83 100.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.36 80.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.17 -178.17 0.13 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -162.55 154.56 15.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -45.17 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 61.5 144.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.3 p 179.95 145.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 108.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -113.06 174.01 6.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.3 85.18 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 mt -133.89 154.92 50.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.92 74.78 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mt -133.56 132.38 40.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -167.14 155.1 9.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.53 163.52 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.5 p -44.91 159.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -120.11 139.4 52.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -125.55 147.58 49.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.5 mt -132.35 128.22 37.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 49.1 m -102.21 109.42 21.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -119.99 127.11 52.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -100.49 152.26 20.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -146.41 116.48 4.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.439 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.4 Cg_endo -74.98 149.31 36.63 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.452 1.764 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.46 ' CD1' HG21 ' A' ' 114' ' ' ILE . 17.4 mt -129.93 62.34 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -89.32 -62.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -92.54 -32.88 14.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 t -78.71 -30.21 45.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.031 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.61 -39.62 54.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.3 p -42.21 -49.89 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.003 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.1 -45.48 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 145.07 -176.26 24.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 38' ' ' GLY . 18.8 mt -40.33 -69.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.33 38.42 1.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.469 HG12 ' CB ' ' A' ' 68' ' ' ALA . 4.3 m -144.75 151.46 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 4.0 t -98.32 137.27 37.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.477 ' HB2' ' CE ' ' A' ' 97' ' ' MET . 6.3 mt -117.16 179.74 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.14 138.41 19.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.8 132.91 11.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.28 137.74 51.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -127.48 147.34 50.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.43 125.67 53.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -52.69 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.31 -65.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.5 p -68.42 -39.85 81.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.91 46.05 5.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.1 m -141.16 170.85 14.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.446 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.84 102.59 15.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -42.2 -38.18 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.16 -162.78 22.57 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.555 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 40.7 mm -108.16 148.18 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 4.4 m-85 -142.59 155.99 45.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 34.0 mt -81.08 147.79 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 42' ' ' SER . 4.1 ttpt -97.1 -53.06 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.53 168.38 3.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.8 mp -109.79 137.99 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 41' ' ' VAL . 2.6 mp -91.6 111.55 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.799 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 8.1 t-80 -72.46 148.31 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.468 ' N ' ' ND1' ' A' ' 64' ' ' HIS . . . 86.97 10.27 72.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.47 -147.87 7.94 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.84 -50.85 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' HG12 ' A' ' 41' ' ' VAL . . . -55.77 -35.81 66.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.799 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 3.8 t80 -36.99 -44.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -54.18 -53.23 56.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' ARG . 5.1 t0 -77.45 -12.8 60.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -37.1 -30.22 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASP . 9.9 ptm180 -38.12 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 72' ' ' GLY . 32.9 mt -63.44 177.8 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -128.73 124.1 34.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.511 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -42.64 166.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 76' ' ' MET . 1.9 m-20 83.27 -0.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.15 114.47 3.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 58' ' ' PHE . 7.8 tt0 -68.76 124.15 22.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.412 HD13 ' N ' ' A' ' 80' ' ' LEU . 8.3 mp -83.43 116.14 22.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.521 ' CB ' HD22 ' A' ' 89' ' ' LEU . 2.8 pt -104.51 -44.65 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.3 135.15 22.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.519 ' O ' ' N ' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -120.75 126.51 75.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.505 ' CG ' ' O ' ' A' ' 83' ' ' VAL . 16.7 p30 46.37 31.43 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.33 -28.86 10.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -56.54 131.19 47.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.79 . . . . 0.0 110.329 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.442 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -83.18 131.95 35.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.372 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 59.7 mt -111.27 -23.98 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.521 HD22 ' CB ' ' A' ' 81' ' ' ILE . 6.7 mt -49.23 -67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -50.9 -32.15 25.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -80.04 179.24 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.751 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 40.9 m -117.9 -177.49 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.418 ' HA ' ' CD1' ' A' ' 57' ' ' ILE . 39.8 m-20 -53.83 -48.79 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -61.57 -73.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.0 mt-10 -40.85 -62.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.59 -70.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.477 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 13.5 mmt -48.2 -35.85 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -30.89 69.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 96' ' ' ALA . 2.8 m -72.84 -41.05 65.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.4 tp -50.59 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -42.22 -37.46 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -63.19 -60.84 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -58.91 -35.86 73.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 45.6 mtp -56.61 -32.09 64.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.95 -25.66 15.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.01 -66.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.528 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 13.2 mm-40 -54.57 -17.81 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.477 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -93.74 -7.13 61.72 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -93.11 -57.66 2.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.464 HG12 ' N ' ' A' ' 111' ' ' ARG . 0.3 OUTLIER -76.98 -39.87 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -95.44 -72.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.477 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 117.52 20.38 4.68 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.439 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -159.6 179.15 9.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 111.059 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.46 HG21 ' CD1' ' A' ' 31' ' ' LEU . 12.5 tt -154.56 139.75 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.44 ' CG ' ' N ' ' A' ' 116' ' ' LEU . 36.2 tt0 -105.28 160.2 15.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 115' ' ' GLN . 30.9 mt -133.5 120.99 21.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 39.5 t -104.48 116.74 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.3 pp -106.94 155.98 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.404 ' HB2' ' CD1' ' A' ' 81' ' ' ILE . 2.3 tm? -145.72 121.46 10.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.92 149.65 42.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.1 172.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.3 -61.14 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -172.51 -125.03 0.8 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 70.59 5.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 46.64 90.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.95 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.3 t -85.45 -59.12 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p 55.34 102.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 0.729 . . . . 0.0 109.954 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.2 134.77 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.75 144.53 3.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.095 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -174.31 159.84 3.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.15 158.07 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.71 -146.57 6.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 177.3 122.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 177.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.05 -56.67 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.049 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 64.54 114.97 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -42.51 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.5 152.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.89 155.63 40.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.239 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' A' ' 17' ' ' LEU . 9.6 p90 -54.75 -179.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 17' ' ' LEU . . . -108.01 133.81 51.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.517 ' O ' ' CD1' ' A' ' 15' ' ' TYR . 2.5 pp 43.53 -165.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.474 ' N ' ' CD1' ' A' ' 17' ' ' LEU . 78.7 p -179.43 172.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER 49.8 -176.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER 38.31 86.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.8 m -122.9 109.57 14.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t 76.12 -166.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -110.63 124.12 51.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.461 ' HG3' ' CG1' ' A' ' 117' ' ' VAL . 0.3 OUTLIER -143.66 144.03 31.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.41 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 27.9 mt -119.93 155.71 32.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.458 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 29.6 m -133.25 107.71 8.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -112.9 130.48 56.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -97.01 155.72 16.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.478 HG23 ' CD2' ' A' ' 39' ' ' LEU . 25.0 mt -146.16 122.49 5.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.415 ' HB2' ' ND2' ' A' ' 32' ' ' ASN . 18.5 Cg_endo -74.99 132.92 15.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 0.0 111.055 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.48 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 15.8 mt -112.02 49.87 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 69.3 m-80 -77.72 -63.66 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -90.58 -33.25 15.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -43.99 53.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 109.999 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.48 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -40.25 -38.77 1.42 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -37.17 -65.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 110.014 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.35 -28.11 15.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 135.35 178.41 15.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.499 HD21 ' CG2' ' A' ' 114' ' ' ILE . 14.3 mt -39.15 -67.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.69 27.01 3.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.459 HG11 ' CB ' ' A' ' 68' ' ' ALA . 4.4 m -128.68 149.22 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.05 140.6 36.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 mt -116.09 176.29 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.15 151.33 48.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.34 132.87 11.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.488 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 2.2 m-20 -113.86 124.18 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -116.8 152.2 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.93 131.53 56.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -47.89 10.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -40.38 -57.58 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.2 p -83.32 -41.0 18.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.411 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.08 49.37 3.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.3 m -146.03 173.78 11.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 110.423 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -99.19 108.16 20.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.9 mt -47.74 -54.77 11.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.22 -145.01 10.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.502 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 35.3 mm -117.81 145.25 23.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 4.9 m-85 -139.61 130.09 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.4 mt -51.72 152.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.41 -51.42 2.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.91 149.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.962 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.64 139.46 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.8 mp -94.44 97.8 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.554 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 1.6 m80 -52.37 -176.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.614 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 43.83 35.7 3.35 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.83 -151.27 5.55 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.54 -57.56 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.459 ' CB ' HG11 ' A' ' 41' ' ' VAL . . . -53.21 -31.09 41.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 7.4 t80 -40.58 -40.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -53.25 -47.26 69.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.457 ' O ' ' N ' ' A' ' 73' ' ' ARG . 22.8 t0 -86.89 -13.33 45.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 74' ' ' LEU . . . -38.13 -29.04 0.05 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 71' ' ' ASP . 13.5 ptp180 -39.15 -29.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.2 mt -67.56 178.83 1.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -127.59 137.34 52.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.5 176.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 63.43 27.5 15.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.456 ' HB3' ' CG2' ' A' ' 118' ' ' ILE . 48.4 m-20 -90.45 93.09 9.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -51.96 127.55 21.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CB ' HD12 ' A' ' 88' ' ' LEU . 3.5 mp -86.94 92.61 9.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.463 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 28.1 pt -73.31 -6.02 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 178.45 -179.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.464 ' CG2' HD13 ' A' ' 100' ' ' LEU . 2.6 p -169.36 122.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.239 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 56.32 19.97 4.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.77 -8.74 68.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.6 130.46 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.65 153.94 42.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.416 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.471 HD12 ' CB ' ' A' ' 80' ' ' LEU . 80.6 mt -126.28 -43.16 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 81' ' ' ILE . 3.2 mt -48.18 -39.75 21.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.4 -28.8 71.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' LEU . 7.3 mttt -94.9 -175.63 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 50.3 m -103.99 -172.03 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -62.14 -51.29 68.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 95' ' ' GLU . 74.7 t60 -62.84 -71.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' ALA . 6.4 mt-10 -38.47 -65.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.71 -68.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.417 ' HG2' ' CD1' ' A' ' 57' ' ' ILE . 17.3 mmm -47.35 -37.59 11.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -63.19 -30.58 71.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 m -77.79 -44.23 28.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.382 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.464 HD13 ' CG2' ' A' ' 83' ' ' VAL . 14.3 tp -45.29 -74.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.466 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 19.0 ptt180 -46.78 -26.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -73.53 -61.24 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.429 ' CA ' ' HB2' ' A' ' 107' ' ' GLU . 1.9 m -59.14 -13.49 7.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.064 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 101' ' ' ARG . 11.7 mtm -75.18 -46.17 35.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.3 OUTLIER -97.14 -36.48 10.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -62.4 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.429 ' HB2' ' CA ' ' A' ' 103' ' ' SER . 3.6 mm-40 -74.26 -18.69 60.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -93.9 -8.64 60.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 105' ' ' SER . 1.7 m-20 -72.69 -36.41 67.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.424 ' H ' ' CD1' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -97.34 -34.49 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.413 ' N ' HG12 ' A' ' 110' ' ' ILE . 2.4 mmp_? -79.89 -69.07 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 117.58 10.34 9.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.484 ' C ' ' SD ' ' A' ' 113' ' ' MET . 0.0 OUTLIER -161.8 -168.65 2.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 111.011 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.499 ' CG2' HD21 ' A' ' 39' ' ' LEU . 5.6 tt -148.3 133.43 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.458 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 9.6 tt0 -95.61 129.7 42.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.1 mt -113.66 117.9 32.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.461 ' CG1' ' HG3' ' A' ' 24' ' ' GLN . 38.5 t -104.72 126.62 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 78' ' ' ASP . 1.5 pp -117.74 147.87 20.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -115.44 122.02 44.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -134.18 113.53 12.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.13 -53.08 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.27 -61.17 1.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.062 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 128.46 -175.87 18.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 63.62 6.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.1 128.18 38.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.05 154.18 8.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.055 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.794 ' O ' HD22 ' A' ' 119' ' ' LEU . 4.8 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.406 ' HG3' HD11 ' A' ' 81' ' ' ILE . 0.5 OUTLIER -136.25 140.85 43.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 mt -117.79 150.2 39.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.604 ' C ' HD22 ' A' ' 27' ' ' LEU . 12.4 m -124.92 108.29 11.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.604 HD22 ' C ' ' A' ' 26' ' ' THR . 1.3 mm? -107.76 137.69 45.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.52 123.62 50.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.3 mp -121.83 121.0 28.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.525 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.4 Cg_endo -74.99 138.23 22.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.631 HD21 HD23 ' A' ' 39' ' ' LEU . 20.1 mt -117.25 49.97 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -80.69 -61.4 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.86 -33.77 15.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -76.01 -44.52 39.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.951 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -39.68 -44.5 2.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 m -38.08 -58.42 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.94 -45.03 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.28 -176.03 27.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.085 HD21 HG21 ' A' ' 114' ' ' ILE . 29.2 mt -44.95 -62.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.553 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 111.69 13.87 12.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 62' ' ' ILE . 5.7 m -123.07 155.27 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 0.759 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.956 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -112.28 144.07 42.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.943 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.956 HD23 ' C ' ' A' ' 42' ' ' SER . 3.2 mt -121.19 163.98 17.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.96 139.52 46.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.28 139.91 14.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.3 130.56 55.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.88 148.62 36.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.95 129.85 54.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -87.86 -26.9 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.715 ' HG2' HG23 ' A' ' 51' ' ' THR . 1.4 pm0 -63.5 -29.09 70.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.715 HG23 ' HG2' ' A' ' 50' ' ' GLU . 6.8 p -108.23 -36.49 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.355 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.89 22.13 53.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.69 HG23 ' N ' ' A' ' 54' ' ' ASP . 1.2 t -122.54 -164.22 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 0.773 . . . . 0.0 110.411 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.69 ' N ' HG23 ' A' ' 53' ' ' THR . 0.1 OUTLIER -114.52 104.25 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -42.3 -39.98 2.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.67 -150.77 21.29 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.799 HD11 ' HA ' ' A' ' 93' ' ' ASN . 23.9 mm -117.37 143.16 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.488 ' CZ ' ' CD ' ' A' ' 79' ' ' GLN . 6.4 m-85 -140.39 141.14 35.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.611 ' HA ' HD22 ' A' ' 43' ' ' LEU . 39.1 mt -54.25 145.38 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.68 -48.44 4.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.0 139.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.04 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.645 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.3 mp -85.63 139.82 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.553 HD13 ' O ' ' A' ' 40' ' ' GLY . 4.1 mp -96.63 101.17 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -53.1 -175.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.583 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 47.07 26.58 3.12 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.26 -155.06 8.55 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.93 -51.05 5.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 0.804 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -58.99 -31.67 68.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' ALA . 6.5 t80 -36.86 -42.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -51.2 -50.98 58.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -86.07 -13.0 48.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.645 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -43.31 -24.12 0.32 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 71' ' ' ASP . 1.6 ptm180 -37.84 -29.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 110.275 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' GLY . 25.2 mt -67.45 -174.03 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.85 143.04 46.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -49.13 173.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.62 19.82 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.703 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -86.67 95.14 9.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.488 ' CD ' ' CZ ' ' A' ' 58' ' ' PHE . 32.2 tt0 -52.17 131.97 32.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.703 HD12 ' O ' ' A' ' 78' ' ' ASP . 6.9 mp -97.52 93.39 6.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.849 HG22 HD11 ' A' ' 89' ' ' LEU . 21.0 pt -73.74 -4.17 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 178.07 -176.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.02 HG21 HD12 ' A' ' 100' ' ' LEU . 2.7 p -171.87 114.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.61 20.46 9.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.62 -8.34 68.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.711 ' HG2' HG21 ' A' ' 99' ' ' THR . 0.4 OUTLIER -90.92 131.01 36.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 110.326 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.34 155.77 40.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.624 HD12 ' HB3' ' A' ' 80' ' ' LEU . 65.4 mt -125.97 -44.15 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.849 HD11 HG22 ' A' ' 81' ' ' ILE . 3.2 mt -48.55 -40.72 28.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.36 -25.98 63.47 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 88' ' ' LEU . 7.7 mttt -97.99 -174.72 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -103.2 -174.57 2.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.799 ' HA ' HD11 ' A' ' 57' ' ' ILE . 6.2 m120 -60.21 -52.23 66.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 95' ' ' GLU . 7.2 p-80 -61.92 -71.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.625 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 98' ' ' GLU . 8.4 mt-10 -38.39 -64.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -39.91 -69.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 33.6 mmm -49.43 -28.22 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -73.24 -28.63 62.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.711 HG21 ' HG2' ' A' ' 86' ' ' GLU . 1.3 m -74.06 -42.87 59.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.02 HD12 HG21 ' A' ' 83' ' ' VAL . 8.5 tp -45.84 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -33.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -62.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.2 m -59.0 -28.83 66.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.472 ' HG3' ' CD1' ' A' ' 114' ' ' ILE . 26.6 mtp -66.0 -35.23 80.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.4 -21.15 17.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.06 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.544 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -84.33 -57.68 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 4.4 mm-40 -72.01 -40.12 68.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.492 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -67.73 -7.0 46.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 106' ' ' MET . 5.6 t30 -88.98 -66.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.766 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.605 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -76.8 -39.42 30.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -87.18 -70.7 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.492 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 111.01 9.61 22.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.525 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 9.6 mtm -143.85 165.51 27.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 111.051 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 1.085 HG21 HD21 ' A' ' 39' ' ' LEU . 11.6 tt -138.16 136.43 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -103.79 141.19 36.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.9 mt -121.43 118.59 29.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.747 HG12 HD11 ' A' ' 81' ' ' ILE . 18.9 t -103.44 114.8 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 pp -111.14 162.48 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.794 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -132.47 121.74 23.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.795 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.5 mm-40 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -127.74 141.73 51.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.1 mt -123.75 126.48 46.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.446 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 6.2 m -102.55 105.67 16.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 110.346 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.658 ' HG ' HD11 ' A' ' 74' ' ' LEU . 2.9 mm? -100.23 141.21 33.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -118.38 120.45 37.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.2 mt -119.64 119.9 31.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.562 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.0 148.0 34.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.788 HD21 HD23 ' A' ' 39' ' ' LEU . 51.1 mt -123.96 40.54 3.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 1.1 p30 -61.29 -63.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.3 -25.37 15.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.5 t -72.97 -43.91 61.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.465 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -37.68 -40.1 0.67 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -38.41 -64.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 109.972 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.87 -29.28 16.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 126.7 179.13 15.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.791 HD12 ' SD ' ' A' ' 104' ' ' MET . 18.6 mt -39.4 -70.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 114.85 32.19 1.94 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.447 ' HA ' HD13 ' A' ' 63' ' ' ILE . 3.2 m -131.53 152.31 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.902 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -112.84 138.96 48.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.03 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.902 HD23 ' C ' ' A' ' 42' ' ' SER . 2.4 mt -114.43 157.31 23.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.49 136.45 53.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.18 135.83 13.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.548 ' HB3' HD12 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -116.95 134.92 54.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -131.74 149.18 52.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.82 132.98 56.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -38.05 20.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.39 -65.59 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.227 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.1 p -75.37 -18.34 59.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.06 35.31 83.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 m -122.15 168.57 11.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.361 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -94.21 107.44 19.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.548 HD12 ' HB3' ' A' ' 46' ' ' ASN . 74.2 mt -52.75 -31.12 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.72 -134.61 9.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 12.6 mm -128.78 147.01 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.541 ' CZ ' ' CD ' ' A' ' 79' ' ' GLN . 11.1 m-85 -141.85 132.47 25.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.449 ' HA ' HD22 ' A' ' 43' ' ' LEU . 23.0 mt -50.45 145.55 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.24 -53.74 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.4 145.05 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.689 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.2 mp -88.36 135.65 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 63' ' ' ILE . 3.8 mp -90.98 106.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -57.91 -178.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.64 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 47.78 33.84 10.0 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -138.0 -160.33 8.46 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.15 -50.0 8.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -58.79 -36.54 74.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 68' ' ' ALA . 21.0 t80 -35.85 -43.53 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -52.32 -54.03 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 73' ' ' ARG . 4.0 t70 -80.43 -12.87 59.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.689 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -39.67 -27.24 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 71' ' ' ASP . 13.0 ptt180 -37.49 -30.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.658 HD11 ' HG ' ' A' ' 27' ' ' LEU . 17.2 mt -62.33 177.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -124.73 132.32 53.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -46.45 173.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 67.48 26.48 8.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -89.83 96.87 10.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.541 ' CD ' ' CZ ' ' A' ' 58' ' ' PHE . 30.2 tt0 -51.84 139.68 21.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.533 ' O ' HD21 ' A' ' 89' ' ' LEU . 4.0 mp -101.94 112.52 25.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.694 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.3 pt -94.9 7.32 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 163.08 166.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.967 HG21 HD12 ' A' ' 100' ' ' LEU . 3.4 p -152.03 121.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.54 18.6 4.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.86 -18.5 49.78 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.461 1.1 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -69.19 161.6 28.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.27 138.39 39.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.507 HD12 ' HB3' ' A' ' 80' ' ' LEU . 89.3 mt -114.28 -37.86 4.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.563 ' N ' HD23 ' A' ' 89' ' ' LEU . 4.0 mt -60.17 -37.02 78.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.74 -27.76 73.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -87.75 -141.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.74 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.06 -150.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.987 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.415 ' HA ' HD11 ' A' ' 57' ' ' ILE . 7.4 m120 -80.9 -54.71 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.467 ' CD2' ' HG2' ' A' ' 95' ' ' GLU . 13.5 p-80 -64.57 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' A' ' 94' ' ' HIS . 2.6 mt-10 -36.02 -69.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.453 ' HB1' HD22 ' A' ' 88' ' ' LEU . . . -37.15 -66.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.418 ' HE1' HD12 ' A' ' 43' ' ' LEU . 16.1 mmt -47.94 -43.37 29.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.427 ' OE2' ' NE ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -62.74 -20.91 65.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.431 ' O ' ' CB ' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -91.27 -51.77 5.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.967 HD12 HG21 ' A' ' 83' ' ' VAL . 8.6 tp -39.73 -71.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -50.05 -29.7 9.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 99' ' ' THR . 3.1 ttp85 -64.9 -59.51 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 107' ' ' GLU . 32.9 p -53.59 -34.54 58.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.791 ' SD ' HD12 ' A' ' 39' ' ' LEU . 16.2 mtt -59.17 -34.36 72.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.467 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.6 OUTLIER -96.67 -41.72 8.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.467 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -75.9 -61.07 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.617 ' HA ' HD11 ' A' ' 110' ' ' ILE . 7.7 mm-40 -71.33 -13.95 62.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.44 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.39 -5.39 60.44 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.445 1.09 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 105' ' ' SER . 4.2 m-20 -90.16 -55.96 3.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.628 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -75.98 -41.56 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -83.98 -71.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.334 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 119.34 9.71 8.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.54 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 11.2 ptp -158.69 174.41 15.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.766 ' CG2' HD21 ' A' ' 39' ' ' LEU . 7.4 tt -136.41 151.03 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.446 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 11.1 tt0 -115.61 152.73 32.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.243 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.416 ' N ' ' HG2' ' A' ' 115' ' ' GLN . 67.1 mt -131.71 123.67 28.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.621 HG12 HD11 ' A' ' 81' ' ' ILE . 6.1 t -104.98 113.72 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -109.04 164.44 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.795 HD22 ' O ' ' A' ' 23' ' ' GLU . 2.4 tm? -139.67 129.05 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.531 ' N ' HD13 ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.696 ' O ' HD22 ' A' ' 119' ' ' LEU . 15.4 mm-40 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.82 140.44 49.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.506 ' HB3' HD21 ' A' ' 27' ' ' LEU . 24.9 mt -126.69 114.63 18.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.68 ' C ' HD22 ' A' ' 27' ' ' LEU . 19.4 m -100.23 111.65 23.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.417 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.74 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -113.86 125.78 54.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.14 135.96 41.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.637 HD11 ' OD2' ' A' ' 71' ' ' ASP . 2.5 mp -126.23 122.16 24.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.709 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.93 146.79 33.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.709 HD23 ' O ' ' A' ' 30' ' ' PRO . 42.6 mt -126.81 51.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -92.18 -62.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.54 -48.36 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.433 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -76.48 -20.91 56.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' SER . . . -36.6 -39.46 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m -52.78 -57.32 10.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.75 -53.16 6.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 34' ' ' SER . . . 129.86 -174.26 19.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.944 HD12 ' CE ' ' A' ' 104' ' ' MET . 29.8 mt -40.44 -69.07 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.81 53.25 1.55 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.477 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -144.11 154.95 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.909 ' C ' HD23 ' A' ' 43' ' ' LEU . 2.3 t -115.22 133.05 56.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.909 HD23 ' C ' ' A' ' 42' ' ' SER . 2.8 mt -116.38 176.49 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -136.45 143.64 43.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.19 118.73 6.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.474 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 1.2 t-20 -96.85 132.03 43.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -121.85 153.9 37.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.469 ' HB3' HG22 ' A' ' 51' ' ' THR . 0.5 OUTLIER -116.75 145.99 43.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.04 -47.98 7.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.06 -66.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.506 HG23 ' H ' ' A' ' 53' ' ' THR . 6.5 t -67.64 -20.1 65.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.26 31.96 70.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.153 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.506 ' H ' HG23 ' A' ' 51' ' ' THR . 3.1 m -140.05 153.25 46.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.391 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.92 135.55 56.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.0 mt -77.05 -45.45 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.84 -133.32 3.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.658 HD11 ' HA ' ' A' ' 93' ' ' ASN . 17.9 mm -134.4 143.41 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 0.735 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 46' ' ' ASN . 26.9 m-85 -135.9 132.13 36.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.529 ' HA ' HD22 ' A' ' 43' ' ' LEU . 39.2 mt -59.46 146.81 9.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -99.32 -53.01 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 p -173.62 164.84 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.795 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.6 mp -108.75 127.2 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.499 HD12 ' N ' ' A' ' 63' ' ' ILE . 4.0 mp -87.11 112.47 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -65.75 165.29 12.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.608 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.495 ' N ' ' CG ' ' A' ' 64' ' ' HIS . . . 71.01 13.37 72.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.88 -161.08 11.3 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' A' ' 34' ' ' SER . . . -85.7 -38.79 17.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.477 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -65.03 -32.69 74.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -42.34 -40.61 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -56.75 -42.58 79.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.637 ' OD2' HD11 ' A' ' 29' ' ' ILE . 17.4 t0 -88.23 -13.51 40.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.795 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.67 -29.85 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 71' ' ' ASP . 9.3 ptm180 -38.14 -30.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' GLY . 33.9 mt -64.33 -175.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -134.8 128.75 33.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.419 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -43.46 167.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 70.52 22.8 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -89.7 101.28 13.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.414 ' HG3' ' CE1' ' A' ' 58' ' ' PHE . 17.3 tt0 -55.78 134.74 51.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 80' ' ' LEU . 1.6 mp -93.65 131.62 38.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.767 ' HA ' HD21 ' A' ' 89' ' ' LEU . 23.2 pt -116.64 7.95 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 162.26 159.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.735 HG21 HD12 ' A' ' 100' ' ' LEU . 1.4 p -147.1 120.34 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 84' ' ' ASN . 0.7 OUTLIER 49.35 22.73 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 83' ' ' VAL . . . 106.68 -28.1 14.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' VAL . 3.5 mm-40 -63.2 142.38 58.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.79 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.406 ' O ' ' CE ' ' A' ' 91' ' ' LYS . 0.4 OUTLIER -93.6 141.16 28.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.429 HD12 ' CB ' ' A' ' 80' ' ' LEU . 70.7 mt -114.58 -39.81 3.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.767 HD21 ' HA ' ' A' ' 81' ' ' ILE . 5.3 mt -51.05 -53.26 35.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.26 -27.43 52.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.406 ' CE ' ' O ' ' A' ' 87' ' ' THR . 6.3 mttm -88.89 -153.14 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.1 p -132.83 -150.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.658 ' HA ' HD11 ' A' ' 57' ' ' ILE . 62.7 m-20 -80.48 -51.99 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -66.0 -67.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.602 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 96' ' ' ALA . 9.0 mt-10 -39.23 -65.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -39.29 -69.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.531 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 11.0 mmt -44.56 -50.72 9.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -29.14 57.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -81.04 -51.68 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.735 HD12 HG21 ' A' ' 83' ' ' VAL . 8.1 tp -39.68 -66.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -54.13 -34.39 60.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -57.26 -51.78 67.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 107' ' ' GLU . 23.9 m -60.3 -40.49 90.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.944 ' CE ' HD12 ' A' ' 39' ' ' LEU . 13.7 mtt -54.86 -28.18 48.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.6 t -97.11 -40.16 8.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.569 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -80.34 -64.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.642 ' HA ' HD11 ' A' ' 110' ' ' ILE . 3.1 mm-40 -60.3 -13.5 13.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.423 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -93.68 -7.54 61.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -93.53 -59.54 1.99 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -74.62 -39.52 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -95.32 -72.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.423 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 112.27 23.66 5.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.442 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -162.81 172.43 15.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 0.8 . . . . 0.0 111.021 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.915 ' CG2' HD21 ' A' ' 39' ' ' LEU . 18.7 tt -142.74 137.04 27.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.519 ' CD ' HG22 ' A' ' 26' ' ' THR . 20.9 tt0 -105.66 154.97 19.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.6 mt -130.97 126.65 36.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.502 HG12 HD11 ' A' ' 81' ' ' ILE . 6.3 t -109.67 110.26 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 119' ' ' LEU . 1.0 OUTLIER -104.2 163.44 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -138.26 136.52 36.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.461 ' H ' HD22 ' A' ' 119' ' ' LEU . 6.6 ttp180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.593 ' HB2' HD22 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -138.76 144.43 39.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.42 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 23.7 mt -121.14 152.9 38.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.471 ' C ' HD22 ' A' ' 27' ' ' LEU . 94.3 m -133.39 114.3 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.471 HD22 ' C ' ' A' ' 26' ' ' THR . 1.5 mm? -107.28 150.97 26.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.13 125.53 48.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.424 HD11 ' OD2' ' A' ' 71' ' ' ASP . 4.9 mt -123.01 117.42 28.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.646 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.01 142.71 28.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 30' ' ' PRO . 15.0 mt -119.32 37.47 4.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -64.27 -63.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.29 -30.11 13.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.445 ' OG ' ' CB ' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -75.34 -19.23 59.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.88 -27.33 50.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -50.13 -58.08 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 110.036 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.25 -45.71 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 132.13 -170.53 21.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.958 HD12 ' HE1' ' A' ' 104' ' ' MET . 26.5 mt -40.17 -66.17 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.7 56.04 1.37 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.62 ' HA ' HD13 ' A' ' 63' ' ' ILE . 2.9 m -145.78 154.0 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.899 ' C ' HD23 ' A' ' 43' ' ' LEU . 1.4 p -99.86 133.64 43.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.899 HD23 ' C ' ' A' ' 42' ' ' SER . 5.1 mt -124.06 179.42 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.76 145.68 27.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.93 109.0 2.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -85.92 138.85 31.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -129.17 150.1 50.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.3 133.02 55.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -90.54 -44.89 9.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -62.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.6 p -70.19 -42.76 71.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.364 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.39 33.04 7.82 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.597 HG23 ' N ' ' A' ' 54' ' ' ASP . 3.1 t -132.27 -162.22 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 110.423 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.597 ' N ' HG23 ' A' ' 53' ' ' THR . 0.7 OUTLIER -115.69 117.82 31.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 74.6 mt -55.88 -30.74 62.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.37 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.37 -152.0 19.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.942 HG22 HD13 ' A' ' 80' ' ' LEU . 37.2 mm -111.49 164.17 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 88.0 m-85 -161.04 136.98 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.564 ' HA ' HD22 ' A' ' 43' ' ' LEU . 35.0 mt -69.25 147.51 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 42' ' ' SER . 4.7 ttpt -96.2 -54.99 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.95 161.57 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.954 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.674 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.8 mp -101.54 140.99 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.62 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.5 mp -97.07 105.35 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.415 ' ND1' ' CE1' ' A' ' 69' ' ' PHE . 5.9 m-70 -57.98 -179.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.631 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.07 35.04 4.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.33 -152.06 5.74 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.445 ' CB ' ' OG ' ' A' ' 34' ' ' SER . . . -87.55 -59.61 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' GLY . . . -52.86 -33.43 49.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.415 ' CE1' ' ND1' ' A' ' 64' ' ' HIS . 5.8 t80 -37.04 -44.19 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -55.39 -51.51 66.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' ARG . 0.6 OUTLIER -78.08 -12.66 60.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.674 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -36.72 -30.87 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.046 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASP . 8.2 ptp180 -38.97 -29.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' GLY . 13.5 mt -64.85 177.14 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -128.3 125.65 39.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 75' ' ' ARG . 1.7 ptt? -43.11 167.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.61 7.51 4.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.78 93.43 2.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -44.21 135.23 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.942 HD13 HG22 ' A' ' 57' ' ' ILE . 6.5 mp -97.1 103.44 15.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.703 ' HA ' HD21 ' A' ' 89' ' ' LEU . 35.7 pt -88.37 4.78 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 168.08 171.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.932 HG21 HD12 ' A' ' 100' ' ' LEU . 3.1 p -161.61 120.86 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 56.71 18.4 3.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.75 -16.86 54.18 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.432 ' HB2' HG13 ' A' ' 83' ' ' VAL . 17.8 mm-40 -69.18 162.33 27.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.95 135.73 50.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.67 HD12 ' HB3' ' A' ' 80' ' ' LEU . 40.8 mt -112.64 -33.75 6.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.703 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.5 mt -62.15 -26.36 68.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.53 -29.28 49.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -95.05 -161.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.01 -159.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.523 ' HA ' HD11 ' A' ' 57' ' ' ILE . 12.9 m120 -73.72 -49.71 24.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.422 ' CD2' ' H ' ' A' ' 95' ' ' GLU . 9.7 p-80 -63.92 -68.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.648 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.422 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 10.2 mt-10 -38.11 -67.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.586 ' HB1' HD22 ' A' ' 88' ' ' LEU . . . -40.07 -71.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.895 ' HE1' HD12 ' A' ' 43' ' ' LEU . 15.5 mmt -42.13 -49.91 4.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -59.79 -34.88 73.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -75.41 -37.8 60.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.932 HD12 HG21 ' A' ' 83' ' ' VAL . 7.7 tp -51.8 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 102' ' ' ARG . 1.3 ptt85 -56.23 -46.02 79.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.459 ' N ' ' CG ' ' A' ' 101' ' ' ARG . 19.3 ttt180 -52.52 -43.27 65.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 107' ' ' GLU . 3.1 m -62.76 -44.69 95.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.958 ' HE1' HD12 ' A' ' 39' ' ' LEU . 11.9 mtt -52.1 -29.57 22.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.2 OUTLIER -96.97 -57.02 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.008 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -59.08 3.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 103' ' ' SER . 19.7 mm-40 -67.81 -21.73 65.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -95.92 -8.59 57.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 105' ' ' SER . 2.1 t30 -80.09 -44.86 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.576 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -80.97 -36.2 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -87.69 -71.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 125.37 6.15 6.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.552 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 1.9 ptt? -157.97 -170.96 3.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 0.74 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.671 ' CG2' HD21 ' A' ' 39' ' ' LEU . 15.9 tt -147.43 164.5 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.49 ' CG ' ' N ' ' A' ' 116' ' ' LEU . 8.3 tt0 -129.95 159.53 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.329 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.49 ' N ' ' CG ' ' A' ' 115' ' ' GLN . 51.2 mt -133.18 122.14 23.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.575 HG12 HD11 ' A' ' 81' ' ' ILE . 3.5 t -107.08 108.68 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.1 pp -104.37 151.49 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.36 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.593 HD22 ' HB2' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -123.42 114.28 19.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.445 ' N ' HD13 ' A' ' 119' ' ' LEU . 18.2 ttp85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.672 ' O ' HD22 ' A' ' 119' ' ' LEU . 2.6 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -138.0 143.9 40.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.419 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 26.3 mt -122.96 140.97 52.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.504 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 29.9 m -125.15 106.78 10.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.688 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -113.5 123.03 49.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -84.08 142.9 30.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.0 mt -131.4 116.24 16.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.547 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.1 Cg_endo -75.04 130.46 13.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.979 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.484 HD11 ' CG2' ' A' ' 114' ' ' ILE . 15.6 mt -113.65 55.65 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -87.08 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -87.04 -37.9 17.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.13 -45.11 43.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.463 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -39.98 -37.67 1.06 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -51.4 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.39 -38.39 10.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.66 177.8 15.21 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.824 HD21 HG21 ' A' ' 114' ' ' ILE . 26.8 mt -40.21 -71.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.12 40.17 1.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.476 HG12 ' HA ' ' A' ' 62' ' ' ILE . 2.6 m -142.92 157.22 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.883 ' C ' HD23 ' A' ' 43' ' ' LEU . 4.0 t -113.57 138.94 49.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.883 HD23 ' C ' ' A' ' 42' ' ' SER . 3.1 mt -115.51 176.23 5.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -139.04 141.97 38.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.45 123.67 7.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -105.51 142.84 34.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.798 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -125.85 148.84 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.08 137.23 50.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.39 -52.69 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -41.15 -67.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p -68.71 -45.67 70.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.98 48.51 3.11 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.4 m -150.47 161.91 41.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 110.401 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.75 109.93 14.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.235 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.442 ' O ' ' NE2' ' A' ' 79' ' ' GLN . 68.1 mt -46.55 -41.9 15.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.74 -164.78 26.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.817 HD11 ' HA ' ' A' ' 93' ' ' ASN . 45.8 mm -98.84 133.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -125.09 128.16 48.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.518 HD12 ' HB2' ' A' ' 78' ' ' ASP . 53.4 mt -52.68 147.56 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 76' ' ' MET . 1.9 ttpt -100.29 -56.14 2.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 p -173.67 152.68 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.657 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.0 mp -98.2 132.1 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.5 mp -84.76 153.78 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -103.04 152.6 21.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.616 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.11 16.78 60.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.68 -164.79 10.65 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.75 -44.41 20.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.478 ' HB1' HG23 ' A' ' 62' ' ' ILE . . . -48.66 -46.35 40.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 69' ' ' PHE . 1.7 t80 -37.38 -44.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -53.63 -50.78 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.465 ' OD1' ' CB ' ' A' ' 27' ' ' LEU . 34.5 t70 -80.5 -13.1 59.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.657 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -43.05 -25.24 0.35 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 71' ' ' ASP . 12.7 ptp180 -41.4 -27.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.727 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.609 HD11 HD23 ' A' ' 27' ' ' LEU . 24.1 mt -69.9 174.93 4.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 76' ' ' MET . 6.7 mmt85 -122.42 128.06 50.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.442 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -39.98 161.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 111.008 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 76' ' ' MET . 1.1 m-20 75.12 39.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.518 ' HB2' HD12 ' A' ' 59' ' ' ILE . 4.9 m-20 -104.6 92.01 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 55' ' ' LEU . 12.1 tt0 -45.59 128.15 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.483 HD13 HG22 ' A' ' 57' ' ' ILE . 4.7 mp -89.97 88.01 7.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.727 HD11 HG12 ' A' ' 117' ' ' VAL . 27.1 pt -66.52 -10.7 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -177.2 -178.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.821 HG21 HD12 ' A' ' 100' ' ' LEU . 2.4 p -165.63 116.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.94 20.35 12.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.09 -9.57 65.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -87.57 139.15 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.27 149.28 35.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.645 HD21 HG11 ' A' ' 83' ' ' VAL . 57.4 mt -121.66 -44.03 2.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.663 HD11 HG22 ' A' ' 81' ' ' ILE . 2.7 mt -51.07 -41.2 59.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.1 -29.88 45.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -97.76 -165.86 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.744 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 58.9 m -110.01 -176.43 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.817 ' HA ' HD11 ' A' ' 57' ' ' ILE . 54.8 m-20 -57.68 -47.91 80.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.472 ' CD2' ' H ' ' A' ' 95' ' ' GLU . 7.3 p-80 -64.23 -73.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.611 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.472 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 13.4 mt-10 -38.04 -64.07 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.99 -69.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 17.5 mmm -47.85 -31.52 5.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -68.14 -33.58 74.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 96' ' ' ALA . 1.1 m -69.09 -46.2 68.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.821 HD12 HG21 ' A' ' 83' ' ' VAL . 10.4 tp -43.94 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -43.07 -37.01 1.82 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -58.3 9.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 107' ' ' GLU . 8.3 p -61.32 -38.29 86.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.04 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.533 ' SD ' HD12 ' A' ' 39' ' ' LEU . 37.9 mtp -57.87 -29.41 65.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.419 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 2.4 t -96.36 -32.81 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.969 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.695 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -86.7 -68.92 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.611 ' HA ' HD11 ' A' ' 110' ' ' ILE . 5.5 mm-40 -53.82 -20.62 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.463 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -94.74 -7.23 60.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 105' ' ' SER . 3.6 m-20 -91.96 -56.15 3.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 106' ' ' MET . 0.3 OUTLIER -77.64 -40.19 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -95.75 -73.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.463 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 116.57 13.38 8.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.547 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 2.1 mtp -140.47 172.31 12.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.824 HG21 HD21 ' A' ' 39' ' ' LEU . 15.6 tt -147.91 140.14 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.504 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 13.8 tt0 -109.49 148.41 31.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.406 ' N ' ' HG2' ' A' ' 115' ' ' GLN . 78.4 mt -128.45 117.66 21.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.727 HG12 HD11 ' A' ' 81' ' ' ILE . 25.5 t -102.31 109.95 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.45 ' CG2' ' HB3' ' A' ' 78' ' ' ASP . 1.8 pp -103.54 160.24 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.672 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.2 tm? -125.44 124.06 40.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.694 ' O ' HD22 ' A' ' 119' ' ' LEU . 2.3 mp0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.426 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -145.73 144.58 30.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.426 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 21.7 mt -119.96 138.58 53.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.455 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 3.4 m -107.81 106.18 16.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.1 mm? -99.85 132.03 45.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -115.0 117.53 30.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -117.37 122.1 31.41 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.715 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.2 Cg_endo -75.03 145.71 31.67 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.436 1.756 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.715 HD23 ' O ' ' A' ' 30' ' ' PRO . 20.2 mt -122.81 37.49 4.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -66.74 -63.23 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -94.95 -28.52 15.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -75.04 -35.1 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -42.75 -38.05 3.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -39.02 -63.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.024 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.17 -22.49 18.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 112.82 -175.54 16.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.692 HD12 ' CE ' ' A' ' 104' ' ' MET . 17.9 mt -39.72 -67.11 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.69 47.27 1.4 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.621 HG13 ' CB ' ' A' ' 68' ' ' ALA . 3.3 m -141.72 157.51 20.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.939 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -115.83 139.77 49.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.939 HD23 ' C ' ' A' ' 42' ' ' SER . 3.1 mt -119.52 177.2 5.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' HG23 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -129.52 175.89 8.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.71 129.36 5.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.32 123.73 49.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -110.78 139.92 45.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.426 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -104.4 133.65 48.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -31.12 24.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.87 -54.04 51.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.6 p -86.64 -3.53 59.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.46 39.82 37.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.125 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.59 HG23 ' N ' ' A' ' 54' ' ' ASP . 11.2 t -140.48 -151.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.59 ' N ' HG23 ' A' ' 53' ' ' THR . 1.2 p30 -114.07 150.45 33.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.1 mt -91.49 -39.75 11.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.06 -160.93 28.25 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.905 HD11 ' HA ' ' A' ' 93' ' ' ASN . 12.4 mm -115.54 132.67 64.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -123.34 131.6 53.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.635 HD12 ' HB2' ' A' ' 78' ' ' ASP . 53.1 mt -46.55 146.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.28 -57.42 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 p -176.86 130.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.633 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.0 mp -72.21 141.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.2 mp -94.0 96.84 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.75 153.86 31.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.595 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.01 7.78 80.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.431 1.082 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.89 -147.2 6.51 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 69' ' ' PHE . . . -85.64 -62.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.621 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -43.16 -27.94 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.411 ' N ' ' C ' ' A' ' 67' ' ' ALA . 12.6 t80 -48.12 -48.56 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -44.61 -72.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 73' ' ' ARG . 0.6 OUTLIER -66.01 -11.84 50.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.633 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -44.41 -21.81 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.43 ' N ' ' C ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -36.55 -31.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.314 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 72' ' ' GLY . 28.2 mt -69.56 -171.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -138.38 150.81 46.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 2.5 ptm -49.94 160.51 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 76' ' ' MET . 4.7 m-20 79.33 50.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.635 ' HB2' HD12 ' A' ' 59' ' ' ILE . 5.1 m-20 -118.28 95.88 5.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -52.95 134.41 37.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.598 ' HB3' HD12 ' A' ' 88' ' ' LEU . 6.0 mp -98.6 93.51 6.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.898 HG22 HD11 ' A' ' 89' ' ' LEU . 16.5 pt -73.42 -4.45 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 175.37 -172.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.035 HG21 HD12 ' A' ' 100' ' ' LEU . 2.6 p -176.95 123.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.19 19.56 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.24 -9.18 69.8 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -90.16 131.84 35.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.53 155.54 39.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.598 HD12 ' HB3' ' A' ' 80' ' ' LEU . 71.0 mt -124.01 -43.79 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.898 HD11 HG22 ' A' ' 81' ' ' ILE . 2.9 mt -51.39 -43.89 62.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.4 -32.16 60.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -89.35 -158.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -114.55 -172.33 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.976 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.905 ' HA ' HD11 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -68.93 -31.39 70.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 13.6 p-80 -79.86 -67.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.413 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 8.7 mt-10 -42.34 -62.82 0.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.434 ' HB1' HD22 ' A' ' 88' ' ' LEU . . . -39.89 -72.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.724 ' SD ' HG21 ' A' ' 57' ' ' ILE . 43.3 mmm -46.36 -44.99 17.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -60.27 -32.38 71.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -73.7 -38.45 64.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.37 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.035 HD12 HG21 ' A' ' 83' ' ' VAL . 8.8 tp -51.15 -71.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.421 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 0.0 OUTLIER -47.84 -23.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 106' ' ' MET . 8.6 ttt85 -78.1 -58.88 3.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 41.8 m -58.51 -14.2 7.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.692 ' CE ' HD12 ' A' ' 39' ' ' LEU . 15.2 mtt -68.82 -56.56 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.4 OUTLIER -97.61 -33.21 11.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.028 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -68.34 -54.57 16.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 103' ' ' SER . 3.8 mm-40 -85.33 -17.96 35.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 112' ' ' GLY . . . -93.6 -8.54 60.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 105' ' ' SER . 2.1 m-20 -68.32 -47.44 67.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.677 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -87.36 -32.44 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -81.2 -63.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 108' ' ' GLY . . . 111.29 14.57 11.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.557 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -168.54 -174.2 2.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 0.0 111.006 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.673 HD13 HD11 ' A' ' 39' ' ' LEU . 9.5 tt -143.36 154.78 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 83' ' ' VAL . 11.6 tt0 -120.11 147.44 44.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.442 HD23 HG23 ' A' ' 83' ' ' VAL . 28.2 mt -126.31 118.66 25.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.691 HG12 HD11 ' A' ' 81' ' ' ILE . 20.1 t -103.21 114.83 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.6 pp -109.13 161.91 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.694 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.4 tm? -125.38 131.0 53.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.819 ' O ' HD22 ' A' ' 119' ' ' LEU . 7.5 mt-10 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.585 ' OE1' HD11 ' A' ' 81' ' ' ILE . 7.2 tt0 -131.59 144.99 51.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.538 ' HB3' HD21 ' A' ' 27' ' ' LEU . 29.0 mt -139.95 130.72 25.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.501 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 17.0 m -110.49 103.31 11.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.666 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.3 mm? -108.02 119.42 39.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -94.93 141.29 28.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.7 mt -129.34 127.54 23.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.657 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.03 145.23 31.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 104' ' ' MET . 33.4 mt -124.22 38.69 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -70.41 -63.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.24 -30.66 18.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.71 -33.44 60.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -37.57 -41.4 0.82 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -39.97 -62.12 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.3 -43.75 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 134.67 -171.46 22.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.895 HD21 ' CG2' ' A' ' 114' ' ' ILE . 19.5 mt -39.67 -66.49 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.25 40.46 1.65 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.537 HG12 ' HA ' ' A' ' 62' ' ' ILE . 3.0 m -146.7 153.13 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.959 ' C ' HD23 ' A' ' 43' ' ' LEU . 17.7 t -111.92 150.66 30.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.959 HD23 ' C ' ' A' ' 42' ' ' SER . 2.7 mt -118.44 168.19 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.478 ' HE3' ' ND2' ' A' ' 77' ' ' ASN . 1.4 pttt -127.96 142.68 51.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.16 138.24 13.94 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -123.96 129.61 51.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -120.99 147.89 44.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.63 135.05 52.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.996 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -88.16 -38.2 15.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 75.3 p -75.86 -42.4 49.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.43 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.63 47.23 4.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.437 1.086 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.3 m -143.85 166.64 24.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 0.726 . . . . 0.0 110.426 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -89.9 103.92 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.7 mt -48.26 -45.73 34.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.15 -140.09 8.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.797 HD11 ' HA ' ' A' ' 93' ' ' ASN . 16.4 mm -120.58 146.75 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.506 ' CE2' ' HB2' ' A' ' 79' ' ' GLN . 26.5 m-85 -137.44 124.16 21.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.5 ' HA ' HD22 ' A' ' 43' ' ' LEU . 13.5 mt -40.87 145.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 76' ' ' MET . 1.3 ttmm -100.15 -53.32 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 80.0 p -174.4 157.74 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.81 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.2 mp -104.59 127.58 58.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.507 HD12 ' N ' ' A' ' 63' ' ' ILE . 4.0 mp -86.98 113.19 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -64.79 166.85 8.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.57 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.02 23.04 76.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.46 -165.08 11.48 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.81 -37.22 24.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -66.46 -36.33 82.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -39.69 -40.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -53.44 -46.87 70.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' ALA . 19.0 t0 -88.76 -13.15 40.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.81 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -40.36 -27.01 0.14 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -39.43 -28.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 110.324 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' GLY . 30.4 mt -63.76 -175.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -131.88 131.8 43.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.433 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -45.49 172.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.478 ' ND2' ' HE3' ' A' ' 44' ' ' LYS . 0.1 OUTLIER 69.35 24.22 5.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.454 ' O ' HD12 ' A' ' 80' ' ' LEU . 21.5 m-20 -89.47 103.08 15.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.506 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 57.7 tt0 -54.13 135.06 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.693 ' HB3' HD12 ' A' ' 88' ' ' LEU . 6.2 mp -97.93 100.13 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.83 HG22 HD11 ' A' ' 89' ' ' LEU . 14.7 pt -86.99 7.73 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 163.58 176.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.003 HG21 ' CD1' ' A' ' 100' ' ' LEU . 2.4 p -169.89 116.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.54 11.84 8.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.78 -14.6 56.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -82.87 132.68 35.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.75 157.5 37.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.386 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.693 HD12 ' HB3' ' A' ' 80' ' ' LEU . 93.1 mt -127.66 -45.33 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.83 HD11 HG22 ' A' ' 81' ' ' ILE . 3.3 mt -51.41 -44.1 62.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.32 -27.14 65.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -91.25 -172.45 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.52 172.39 6.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.797 ' HA ' HD11 ' A' ' 57' ' ' ILE . 19.7 m120 -56.55 -29.7 62.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -80.68 -71.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -41.65 -59.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.402 ' O ' ' HB ' ' A' ' 99' ' ' THR . . . -40.0 -71.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.1 mmm -47.53 -42.0 22.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -30.45 71.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -76.4 -39.9 52.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.4 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.003 ' CD1' HG21 ' A' ' 83' ' ' VAL . 14.4 tp -49.17 -71.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -43.74 -26.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 106' ' ' MET . 0.0 OUTLIER -78.94 -56.49 4.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 17.2 m -56.89 -13.55 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.958 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.7 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 18.9 mtt -72.2 -59.13 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 109' ' ' ASN . 21.1 m -98.49 -39.12 8.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.523 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -58.95 -42.54 90.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 103' ' ' SER . 10.0 mm-40 -98.29 -21.56 16.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 104' ' ' MET . . . -89.46 -9.56 66.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 106' ' ' MET . 6.3 p30 -66.37 -43.9 84.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.635 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -96.77 -36.01 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.41 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 2.9 tpt85 -73.18 -54.67 7.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.0 20.2 19.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.543 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 15.6 ptt? -179.36 171.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.895 ' CG2' HD21 ' A' ' 39' ' ' LEU . 15.5 tt -129.97 159.01 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.501 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 13.0 tt0 -124.1 149.43 46.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.401 ' N ' ' HG2' ' A' ' 115' ' ' GLN . 72.4 mt -128.09 121.83 30.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.546 HG12 HD11 ' A' ' 81' ' ' ILE . 3.9 t -104.82 111.52 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.1 pp -104.88 152.13 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.819 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.4 tm? -136.57 119.98 16.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.693 ' O ' HD22 ' A' ' 119' ' ' LEU . 7.4 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -125.3 139.24 53.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.244 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.4 mt -116.88 143.45 45.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.567 ' C ' HD22 ' A' ' 27' ' ' LEU . 38.3 m -121.88 112.09 17.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.693 ' HG ' HD11 ' A' ' 74' ' ' LEU . 1.6 mm? -107.65 139.14 42.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -107.97 110.62 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.474 ' CD1' HD12 ' A' ' 116' ' ' LEU . 11.9 mt -110.55 115.28 54.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.657 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -74.98 144.04 29.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.659 HD11 ' CG2' ' A' ' 114' ' ' ILE . 16.6 mt -127.51 56.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -92.61 -62.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -84.44 -43.09 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.85 -29.33 58.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -46.39 -42.54 13.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' GLY . 25.3 t -38.32 -48.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.66 -36.8 12.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.33 -169.35 19.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.931 HD21 HG21 ' A' ' 114' ' ' ILE . 28.3 mt -48.18 -68.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.797 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.91 42.69 2.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.585 ' HA ' HD13 ' A' ' 63' ' ' ILE . 3.0 m -141.83 154.52 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.901 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -110.21 136.18 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.901 HD23 ' C ' ' A' ' 42' ' ' SER . 3.3 mt -117.39 175.72 5.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.492 ' CD ' ' HB2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -125.92 175.85 7.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.88 110.18 0.68 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -98.66 148.6 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.4 148.89 50.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.18 119.23 38.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -87.74 -33.5 18.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -21.03 43.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 p -123.57 -41.72 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.45 16.73 26.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 m -109.55 168.13 9.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.378 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.07 116.52 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.6 mt -54.56 -40.64 68.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.69 -139.3 8.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.112 . . . . 0.0 111.051 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.568 HG22 HD13 ' A' ' 80' ' ' LEU . 16.3 mm -135.05 142.37 40.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' A' ' 58' ' ' PHE . 1.3 m-85 -133.18 145.06 50.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.51 ' HA ' HD22 ' A' ' 43' ' ' LEU . 42.3 mt -63.18 146.5 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -97.19 -56.83 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.86 142.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.666 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.8 mp -84.33 137.7 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.585 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.2 mp -91.17 156.63 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.66 142.61 37.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.4 15.79 42.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -129.67 -155.57 8.49 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.34 -36.19 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 0.73 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -61.89 -42.03 98.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -38.57 -44.23 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -58.08 -48.5 79.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.537 ' OD2' HD12 ' A' ' 74' ' ' LEU . 22.2 t70 -77.02 -13.15 59.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.666 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.44 -30.06 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.122 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' ASP . 7.1 ptt180 -37.46 -31.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.693 HD11 ' HG ' ' A' ' 27' ' ' LEU . 30.7 mt -66.55 -172.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.44 ' CD ' ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -139.52 130.43 26.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.466 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.5 OUTLIER -44.11 167.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 76' ' ' MET . 4.8 m-20 79.67 3.36 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.45 94.54 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -49.91 137.1 17.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.6 ' HB3' HD12 ' A' ' 88' ' ' LEU . 4.6 mp -96.78 93.25 6.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.699 ' HA ' HD21 ' A' ' 89' ' ' LEU . 16.1 pt -77.61 -1.76 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 172.74 177.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.991 HG21 HD12 ' A' ' 100' ' ' LEU . 2.1 p -169.93 119.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.05 19.46 11.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.28 -9.08 75.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -85.79 144.45 27.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.264 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.65 152.82 29.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 80' ' ' LEU . 82.9 mt -125.46 -45.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.349 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.699 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.1 mt -52.16 -48.39 64.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.56 -23.73 44.24 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -93.0 -170.21 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 0.803 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.6 m -105.56 -178.63 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.563 ' HA ' HD11 ' A' ' 57' ' ' ILE . 21.6 m120 -64.58 -28.5 69.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -84.17 -70.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.635 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 99' ' ' THR . 3.9 mt-10 -39.32 -58.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.424 ' O ' ' HB ' ' A' ' 99' ' ' THR . . . -42.6 -72.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.464 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 59.6 mmm -50.31 -33.48 20.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -70.91 -24.76 62.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -78.51 -37.14 43.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.352 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.991 HD12 HG21 ' A' ' 83' ' ' VAL . 8.1 tp -48.61 -66.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -46.99 -38.55 10.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 13.0 mmt180 -65.35 -60.89 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 26.4 m -61.82 -12.75 18.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.737 ' SD ' HD12 ' A' ' 39' ' ' LEU . 27.1 mtp -82.31 -40.31 21.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.3 OUTLIER -98.03 -37.94 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.026 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.5 -66.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 111' ' ' ARG . 16.7 mm-40 -65.27 -21.27 66.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -93.94 -9.53 59.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 105' ' ' SER . 1.5 m-20 -72.29 -38.19 68.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 0.804 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.829 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -96.11 -36.01 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.438 ' N ' HG12 ' A' ' 110' ' ' ILE . 1.1 mmp_? -78.77 -56.24 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.0 9.89 44.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.544 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 2.6 ptt? -159.78 -174.0 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.931 HG21 HD21 ' A' ' 39' ' ' LEU . 11.0 tt -145.33 151.68 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -117.43 141.08 48.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.474 HD12 ' CD1' ' A' ' 29' ' ' ILE . 61.0 mt -119.1 123.9 45.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.475 HG12 HD11 ' A' ' 81' ' ' ILE . 18.2 t -107.76 109.13 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 1.3 pp -106.82 143.31 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.2 tm? -116.9 126.88 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.77 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.565 ' HG3' HD11 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -143.08 136.47 28.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.509 ' HB2' HD11 ' A' ' 118' ' ' ILE . 34.5 mt -113.46 152.55 29.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.713 HG23 ' OE1' ' A' ' 115' ' ' GLN . 18.7 m -124.47 112.74 17.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.715 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -116.68 116.33 27.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.94 144.79 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.4 mt -135.18 121.34 14.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.803 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.95 144.67 30.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.803 HD23 ' O ' ' A' ' 30' ' ' PRO . 26.3 mt -127.88 53.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -89.97 -61.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -87.96 -44.5 10.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.864 ' OG ' ' HB2' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -74.62 -23.26 58.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.97 -38.33 46.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -39.05 -51.29 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 0.806 . . . . 0.0 110.038 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.2 -36.06 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.76 -177.53 16.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.841 HD11 HD13 ' A' ' 114' ' ' ILE . 21.6 mt -40.54 -68.68 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.3 37.66 3.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.539 ' CG1' ' CB ' ' A' ' 68' ' ' ALA . 4.2 m -128.72 151.3 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.923 ' C ' HD23 ' A' ' 43' ' ' LEU . 1.2 t -111.02 137.14 49.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.031 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.923 HD23 ' C ' ' A' ' 42' ' ' SER . 2.6 mt -115.74 164.21 14.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.33 136.67 53.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.66 125.81 8.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -108.36 115.37 29.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 48' ' ' SER . 1.5 tmtt? -113.05 142.66 45.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.413 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -96.09 136.23 36.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -91.27 -21.73 20.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.72 -48.41 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.8 p -116.44 -31.46 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.423 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.96 19.38 15.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -177.37 5.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.783 . . . . 0.0 110.367 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.66 107.57 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.4 mt -52.82 -33.05 47.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.05 -161.92 24.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.67 HD11 ' HA ' ' A' ' 93' ' ' ASN . 29.1 mm -101.24 160.19 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 87.3 m-85 -158.8 126.05 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.489 ' HA ' HD22 ' A' ' 43' ' ' LEU . 43.6 mt -47.29 146.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.88 -49.56 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.41 150.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.948 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.698 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.7 mp -92.77 137.16 22.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 41' ' ' VAL . 2.2 mp -91.94 108.72 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.16 166.41 9.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.587 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.0 16.91 60.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.03 -155.42 9.41 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.864 ' HB2' ' OG ' ' A' ' 34' ' ' SER . . . -88.13 -45.24 10.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.539 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . -60.87 -33.94 73.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -38.27 -42.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -54.69 -49.58 70.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' ARG . 44.9 t0 -81.36 -12.8 58.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.698 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -38.51 -28.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' ASP . 4.1 ttp180 -36.5 -32.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.683 HD11 ' HG ' ' A' ' 27' ' ' LEU . 30.5 mt -64.06 -172.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.23 132.57 28.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER -38.87 159.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.98 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 76' ' ' MET . 1.8 m-20 77.42 49.08 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.694 ' O ' HD12 ' A' ' 80' ' ' LEU . 55.7 m-20 -112.47 97.02 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.457 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 44.1 tt0 -52.66 129.18 28.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 78' ' ' ASP . 7.0 mp -94.0 88.56 5.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.771 HD11 HG12 ' A' ' 117' ' ' VAL . 21.4 pt -66.5 -11.41 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 177.18 -175.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.966 HG21 HD12 ' A' ' 100' ' ' LEU . 2.6 p -164.84 120.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 103' ' ' SER . 2.9 m-20 58.74 24.59 12.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.03 -8.24 76.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.779 ' HG2' HG21 ' A' ' 99' ' ' THR . 0.7 OUTLIER -88.85 123.66 33.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.27 166.53 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.492 HD11 ' CG1' ' A' ' 83' ' ' VAL . 50.9 mt -141.55 -46.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.746 HD11 HG22 ' A' ' 81' ' ' ILE . 3.3 mt -49.55 -36.92 25.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.42 -26.43 71.77 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 88' ' ' LEU . 6.5 mttt -90.35 -170.77 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.519 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -102.17 -169.93 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.971 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.67 ' HA ' HD11 ' A' ' 57' ' ' ILE . 80.5 m-20 -72.87 -27.97 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.519 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 14.1 p-80 -84.95 -68.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.597 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.444 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 6.5 mt-10 -39.6 -63.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -39.71 -69.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 51.0 mmm -48.49 -31.2 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -70.29 -28.25 65.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.779 HG21 ' HG2' ' A' ' 86' ' ' GLU . 3.0 m -75.51 -46.59 31.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.966 HD12 HG21 ' A' ' 83' ' ' VAL . 9.7 tp -47.95 -68.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.44 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 24.1 ptt180 -50.4 -21.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 106' ' ' MET . 3.6 ttt85 -77.09 -55.38 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -61.28 -13.11 16.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.969 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.77 ' CE ' HD12 ' A' ' 39' ' ' LEU . 14.1 mtt -72.12 -52.43 16.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.11 -28.54 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.49 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -74.81 -61.72 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 111.023 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 111' ' ' ARG . 14.3 mt-10 -77.5 -37.4 51.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.5 -9.5 55.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -50.08 38.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.732 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -97.9 -35.83 5.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 107' ' ' GLU . 1.7 mmt180 -71.83 -47.59 52.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.25 11.03 73.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.418 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -163.33 176.52 9.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.967 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.841 HD13 HD11 ' A' ' 39' ' ' LEU . 16.2 tt -138.28 139.69 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.713 ' OE1' HG23 ' A' ' 26' ' ' THR . 2.1 tt0 -106.37 149.62 26.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.507 ' CD2' HD11 ' A' ' 100' ' ' LEU . 35.5 mt -131.0 123.04 27.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.771 HG12 HD11 ' A' ' 81' ' ' ILE . 4.7 t -103.59 120.07 53.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.509 HD11 ' HB2' ' A' ' 25' ' ' LEU . 1.6 pp -113.09 156.13 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.77 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -127.23 121.21 30.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.1 ttm-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.871 ' O ' HD22 ' A' ' 119' ' ' LEU . 4.6 mm-40 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.486 ' HG3' HD11 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -137.21 137.79 39.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 mt -126.31 144.78 50.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.546 ' C ' HD22 ' A' ' 27' ' ' LEU . 84.9 m -125.79 109.43 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.42 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.712 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -113.76 121.25 43.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -90.7 144.73 25.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.949 HD11 ' CB ' ' A' ' 71' ' ' ASP . 43.8 mt -132.55 126.31 20.04 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.738 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -74.97 146.76 33.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.794 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.738 HD23 ' O ' ' A' ' 30' ' ' PRO . 26.0 mt -125.07 37.93 4.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 1.4 p30 -64.43 -61.99 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.8 OUTLIER -97.59 -23.18 16.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 15.4 t -75.99 -51.33 12.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.477 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -36.98 -46.93 1.26 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -39.11 -51.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.025 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.87 -41.01 9.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.93 -178.28 18.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.978 HD21 HG21 ' A' ' 114' ' ' ILE . 30.2 mt -42.56 -69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.586 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 110.29 12.56 17.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.513 ' HA ' HD13 ' A' ' 63' ' ' ILE . 2.7 m -120.93 156.81 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.946 ' C ' HD23 ' A' ' 43' ' ' LEU . 9.8 t -115.36 143.58 45.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.946 HD23 ' C ' ' A' ' 42' ' ' SER . 2.7 mt -118.5 171.0 8.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.05 142.4 50.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.28 129.99 10.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -116.11 143.31 45.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 0.762 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.44 147.46 52.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.86 128.06 56.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.025 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -85.35 -45.99 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -48.02 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 48.1 p -63.47 -42.39 98.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.15 47.44 4.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.443 1.09 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.48 HG22 ' N ' ' A' ' 54' ' ' ASP . 45.9 m -143.44 169.75 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.48 ' N ' HG22 ' A' ' 53' ' ' THR . 0.5 OUTLIER -95.79 98.52 10.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' ASP . 79.7 mt -40.44 -38.31 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.15 -149.41 19.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.539 HD11 ' HA ' ' A' ' 93' ' ' ASN . 28.6 mm -116.57 146.86 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 0.725 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 58' ' ' PHE . 6.1 m-85 -136.54 137.58 40.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.62 HD12 ' HB2' ' A' ' 78' ' ' ASP . 43.3 mt -57.64 146.62 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 76' ' ' MET . 0.6 OUTLIER -96.16 -55.36 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.89 147.84 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.638 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.5 mp -88.11 135.43 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.586 HD13 ' O ' ' A' ' 40' ' ' GLY . 3.8 mp -92.92 97.25 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.547 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -54.48 167.31 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.612 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.547 ' N ' ' CG ' ' A' ' 64' ' ' HIS . . . 66.79 19.36 69.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.52 -155.34 8.75 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.413 ' CB ' ' HB2' ' A' ' 34' ' ' SER . . . -85.88 -50.29 7.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.79 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -56.96 -33.04 66.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -38.03 -40.62 0.49 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -53.94 -50.28 66.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.949 ' CB ' HD11 ' A' ' 29' ' ' ILE . 27.9 t0 -81.85 -13.1 58.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.638 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.89 -29.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -37.11 -31.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.271 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.633 HD11 HD23 ' A' ' 27' ' ' LEU . 25.2 mt -66.96 -172.49 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -138.59 139.05 38.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.417 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -47.15 175.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 61.37 33.53 18.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.62 ' HB2' HD12 ' A' ' 59' ' ' ILE . 43.1 m-20 -99.64 92.16 5.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 37.9 tt0 -45.73 131.95 8.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.261 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.662 ' HB3' HD12 ' A' ' 88' ' ' LEU . 5.4 mp -91.79 112.69 24.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.703 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 10.9 pt -97.63 11.81 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 162.13 177.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.88 HG21 HD12 ' A' ' 100' ' ' LEU . 2.7 p -166.0 115.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.8 10.97 7.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.25 -21.82 21.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.497 ' HG2' HG21 ' A' ' 99' ' ' THR . 1.6 tt0 -80.79 134.53 35.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.788 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.91 163.95 26.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.662 HD12 ' HB3' ' A' ' 80' ' ' LEU . 96.5 mt -130.42 -45.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.521 ' N ' HD23 ' A' ' 89' ' ' LEU . 4.6 mt -46.37 -38.37 8.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.27 -37.05 93.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' LEU . 5.8 mttt -76.46 -177.18 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.534 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 1.9 m -104.75 173.69 6.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.539 ' HA ' HD11 ' A' ' 57' ' ' ILE . 25.8 m120 -49.15 -46.47 45.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 5.2 p-80 -68.1 -76.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.597 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.471 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 9.7 mt-10 -36.94 -58.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -36.16 -70.1 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 21.8 mmm -53.97 -33.4 56.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 95' ' ' GLU . 18.0 mm-40 -66.94 -40.53 87.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.497 HG21 ' HG2' ' A' ' 86' ' ' GLU . 1.3 m -59.94 -35.47 75.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.88 HD12 HG21 ' A' ' 83' ' ' VAL . 8.5 tp -56.43 -74.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -48.01 -30.31 4.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.485 ' C ' ' CD ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -63.66 -65.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -56.89 -35.44 68.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.598 ' SD ' HD12 ' A' ' 39' ' ' LEU . 29.2 mtp -57.39 -29.76 64.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.451 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 93.2 p -95.65 -41.99 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.55 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -84.44 -67.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.625 ' HA ' HD11 ' A' ' 110' ' ' ILE . 29.1 mm-40 -54.81 -23.25 17.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.427 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.07 -7.32 59.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.11 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.7 m-20 -86.3 -53.99 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.625 HD11 ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -76.03 -39.01 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -82.87 -69.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 120.05 4.66 11.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.543 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 8.1 ptp -152.62 -171.17 3.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.978 HG21 HD21 ' A' ' 39' ' ' LEU . 15.3 tt -147.18 163.61 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.479 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 10.1 tt0 -131.14 150.07 52.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 58.8 mt -127.79 126.84 42.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.501 HG12 HD11 ' A' ' 81' ' ' ILE . 3.5 t -112.33 111.01 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.4 pp -105.79 158.92 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.871 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.1 tm? -136.08 121.7 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.801 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -125.85 146.06 49.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.1 mt -140.25 140.88 35.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.674 ' C ' HD22 ' A' ' 27' ' ' LEU . 88.6 m -122.9 113.38 19.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.422 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 26' ' ' THR . 1.0 OUTLIER -110.47 141.97 42.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.23 126.53 54.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mt -122.87 122.25 27.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.609 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.0 Cg_endo -75.07 143.46 28.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.609 HD23 ' O ' ' A' ' 30' ' ' PRO . 23.3 mt -120.31 39.87 3.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 1.4 p30 -62.47 -63.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 1.2 m-20 -97.95 -25.7 14.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -72.94 -42.84 63.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -36.19 -38.61 0.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.0 t -39.68 -64.95 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.61 -21.52 18.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 115.72 -172.22 14.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.68 HD21 ' CG2' ' A' ' 114' ' ' ILE . 16.5 mt -38.85 -70.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.64 29.33 2.48 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.753 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -122.71 158.01 27.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.889 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -113.07 128.89 56.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.889 HD23 ' C ' ' A' ' 42' ' ' SER . 2.5 mt -114.62 173.11 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.72 139.93 29.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.62 129.62 9.97 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -107.79 135.11 49.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -124.37 147.77 47.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.82 140.57 48.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.13 . . . . 0.0 110.032 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -42.79 12.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.75 -60.3 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.4 p -89.86 -12.14 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.361 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.04 30.09 66.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.2 m -121.13 167.02 13.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.384 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.47 117.21 25.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -57.48 -30.97 65.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.36 -150.7 20.1 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.487 1.117 . . . . 0.0 111.048 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.652 HD11 ' HA ' ' A' ' 93' ' ' ASN . 50.1 mm -116.81 147.69 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 6.1 m-85 -143.68 149.03 36.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.585 ' HA ' HD22 ' A' ' 43' ' ' LEU . 38.1 mt -72.82 147.11 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.2 -53.76 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.79 149.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.021 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.584 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.6 mp -89.79 142.6 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.9 mp -94.45 145.95 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.478 ' CD2' ' N ' ' A' ' 65' ' ' GLY . 7.1 t60 -98.27 156.58 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.649 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.478 ' N ' ' CD2' ' A' ' 64' ' ' HIS . . . 79.29 15.1 80.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -131.07 -154.79 7.99 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.83 -59.07 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.753 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -40.74 -44.48 2.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' ALA . 6.0 t80 -35.6 -46.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -54.14 -54.14 43.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.74 ' OD2' HD12 ' A' ' 74' ' ' LEU . 29.5 t70 -75.13 -12.89 60.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.584 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -36.56 -31.29 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 71' ' ' ASP . 6.6 ptp180 -38.21 -30.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 110.266 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.74 HD12 ' OD2' ' A' ' 71' ' ' ASP . 32.6 mt -64.61 -177.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -131.81 130.63 42.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.24 179.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 63.22 24.31 14.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.568 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -90.0 116.9 28.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -71.04 129.33 38.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 78' ' ' ASP . 7.4 mp -91.81 102.21 14.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.837 HD11 HG12 ' A' ' 117' ' ' VAL . 12.1 pt -82.34 3.87 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 163.69 177.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.953 HG21 HD12 ' A' ' 100' ' ' LEU . 2.5 p -161.65 122.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.1 m120 60.31 16.01 5.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.0 -14.58 55.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -82.38 135.14 35.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.88 168.62 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 91' ' ' LYS . 24.8 mt -140.95 -47.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.691 HD11 HG22 ' A' ' 81' ' ' ILE . 2.9 mt -47.15 -39.51 13.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.2 -30.41 77.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 88' ' ' LEU . 7.4 mttt -87.7 -172.87 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.4 m -100.84 -173.76 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.652 ' HA ' HD11 ' A' ' 57' ' ' ILE . 26.8 m-20 -69.86 -28.71 65.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -85.02 -66.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.629 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.4 mt-10 -41.88 -60.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -39.62 -70.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.476 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 42.1 mmm -46.44 -38.75 9.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -30.9 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -77.44 -50.12 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.361 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.953 HD12 HG21 ' A' ' 83' ' ' VAL . 8.5 tp -40.74 -73.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.43 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 36.4 ttp85 -45.95 -54.83 7.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.23 -42.15 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -67.2 -48.53 67.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.545 ' HE1' HD12 ' A' ' 39' ' ' LEU . 11.9 mtt -46.88 -27.46 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.468 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.3 OUTLIER -97.01 -36.48 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.543 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -72.92 -57.4 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 5.0 mm-40 -71.18 -40.31 71.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.479 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -67.57 -7.23 46.26 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 105' ' ' SER . 3.7 m-20 -87.91 -66.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 0.733 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.645 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -78.16 -40.27 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -84.39 -70.97 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.479 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 109.4 8.97 26.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.542 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 2.3 mtm -143.72 165.55 27.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.68 ' CG2' HD21 ' A' ' 39' ' ' LEU . 7.1 tt -135.49 143.34 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -114.62 140.15 49.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 43.6 mt -122.1 121.12 36.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.837 HG12 HD11 ' A' ' 81' ' ' ILE . 15.9 t -101.97 113.51 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.3 pp -109.34 162.07 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.801 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.2 tm? -143.11 120.53 11.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.307 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.82 ' O ' HD22 ' A' ' 119' ' ' LEU . 8.5 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.91 142.35 44.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.7 mt -123.58 125.66 45.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.504 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 16.1 m -104.28 104.2 14.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.9 mm? -105.35 120.83 42.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -93.2 144.94 24.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.566 HD11 ' OD2' ' A' ' 71' ' ' ASP . 61.4 mt -137.56 120.36 11.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.768 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.98 147.38 33.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 30' ' ' PRO . 40.0 mt -128.48 49.79 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -82.36 -62.34 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -87.19 -37.72 17.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.92 -28.87 60.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.03 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -43.36 -40.5 4.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' GLY . 7.7 t -38.79 -58.35 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.05 -38.39 11.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.33 -175.15 17.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.102 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.734 HD21 ' CG2' ' A' ' 114' ' ' ILE . 26.8 mt -41.19 -69.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.84 53.52 1.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.446 1.092 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.466 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -142.31 155.75 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.932 ' C ' HD23 ' A' ' 43' ' ' LEU . 2.5 t -115.69 135.58 53.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.932 HD23 ' C ' ' A' ' 42' ' ' SER . 2.6 mt -117.01 179.09 4.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -139.1 140.04 37.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.79 127.17 9.16 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -113.67 134.67 54.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -118.88 147.6 43.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.52 136.19 53.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.75 -39.55 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -45.93 -66.28 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.2 p -70.06 -24.86 63.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.01 22.45 63.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.663 HG23 ' N ' ' A' ' 54' ' ' ASP . 1.6 t -126.15 -162.45 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 110.44 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.663 ' N ' HG23 ' A' ' 53' ' ' THR . 0.4 OUTLIER -111.88 124.67 52.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.8 mt -54.13 -46.87 72.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.51 -140.44 9.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.603 HD11 ' HA ' ' A' ' 93' ' ' ASN . 19.7 mm -128.06 145.43 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.472 ' CD1' ' N ' ' A' ' 58' ' ' PHE . 5.1 m-85 -136.72 140.0 42.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.488 ' HA ' HD22 ' A' ' 43' ' ' LEU . 35.1 mt -65.57 146.54 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.04 -53.87 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.15 155.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.599 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.8 mp -94.4 138.85 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.8 mp -93.56 137.01 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -89.35 151.22 22.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.553 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.68 15.86 62.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.5 -161.25 9.9 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.35 -46.25 14.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.466 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -50.13 -44.19 52.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' ALA . 4.3 t80 -36.34 -44.12 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -56.29 -53.59 55.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.672 ' OD2' HD12 ' A' ' 74' ' ' LEU . 26.2 t0 -75.09 -13.13 60.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.599 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.06 -31.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' ASP . 5.4 ptt180 -38.75 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.672 HD12 ' OD2' ' A' ' 71' ' ' ASP . 27.4 mt -63.12 179.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.63 120.2 24.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -42.86 166.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 111.043 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 76' ' ' MET . 4.8 m-20 82.01 -1.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.58 123.96 20.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -74.39 132.55 42.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.637 ' HB3' HD12 ' A' ' 88' ' ' LEU . 7.1 mp -92.82 123.35 36.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.754 ' HA ' HD21 ' A' ' 89' ' ' LEU . 18.6 pt -113.39 7.62 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 165.52 171.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.906 HG21 HD12 ' A' ' 100' ' ' LEU . 4.0 p -164.28 119.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.18 26.56 15.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.46 -2.19 82.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.428 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 17.5 mm-40 -84.09 162.55 20.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.55 139.57 41.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 80' ' ' LEU . 68.0 mt -115.93 -38.37 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.754 HD21 ' HA ' ' A' ' 81' ' ' ILE . 4.7 mt -55.87 -38.0 69.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.34 -23.58 74.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -95.85 -173.27 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -102.19 -178.56 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.138 . . . . 0.0 110.004 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.603 ' HA ' HD11 ' A' ' 57' ' ' ILE . 25.7 m120 -60.16 -38.49 83.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 9.0 p-80 -76.35 -73.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.649 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.468 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 11.3 mt-10 -37.15 -58.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -39.85 -72.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 96' ' ' ALA . 37.1 mmm -36.62 -50.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 1.1 mm-40 -53.43 -52.9 57.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -50.04 -23.01 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.906 HD12 HG21 ' A' ' 83' ' ' VAL . 11.9 tp -68.89 -73.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -51.63 -21.32 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 5.9 mmt180 -69.64 -67.26 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.5 m -49.16 -29.37 5.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.711 ' CE ' HD12 ' A' ' 39' ' ' LEU . 13.1 mtt -60.28 -44.2 95.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.446 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.4 OUTLIER -92.71 -16.09 25.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.03 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -58.46 2.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.567 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 5.4 mm-40 -74.48 -29.39 61.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.47 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -68.78 -6.98 53.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 105' ' ' SER . 10.4 m-20 -89.15 -67.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.596 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -75.98 -39.96 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.567 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.9 OUTLIER -86.51 -70.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.47 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 109.42 21.15 7.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.525 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 11.3 ptm -164.29 174.96 10.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.734 ' CG2' HD21 ' A' ' 39' ' ' LEU . 14.9 tt -137.96 158.02 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.504 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 9.1 tt0 -124.15 152.19 43.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.0 mt -126.8 130.66 50.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.531 HG12 HD11 ' A' ' 81' ' ' ILE . 3.6 t -114.9 112.36 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -111.29 156.69 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.82 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -122.98 129.34 51.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.5 ' N ' HD13 ' A' ' 119' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.774 ' O ' HD22 ' A' ' 119' ' ' LEU . 4.0 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -123.24 138.78 54.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.486 ' HB2' HD11 ' A' ' 118' ' ' ILE . 24.8 mt -123.2 114.98 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.727 ' C ' HD22 ' A' ' 27' ' ' LEU . 91.6 m -99.26 112.07 24.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.727 HD22 ' C ' ' A' ' 26' ' ' THR . 0.9 OUTLIER -113.03 137.96 50.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -114.02 124.7 52.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.4 mt -115.61 127.51 26.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.596 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.1 Cg_endo -74.99 143.85 29.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 30' ' ' PRO . 14.3 mt -119.02 35.92 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -65.71 -62.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -96.52 -28.28 14.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -75.78 -30.4 59.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.14 -35.11 6.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.9 p -39.22 -69.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.037 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.34 -12.99 26.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.86 -174.64 18.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.691 HD12 ' CE ' ' A' ' 104' ' ' MET . 20.4 mt -40.46 -66.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 0.78 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.06 34.1 2.23 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.605 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -123.53 158.88 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.776 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.985 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -123.38 137.35 54.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.985 HD23 ' C ' ' A' ' 42' ' ' SER . 2.2 mt -118.79 160.22 22.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.42 136.41 50.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.85 134.35 13.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -116.7 118.92 33.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.99 149.92 34.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.57 140.38 49.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.988 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.21 -26.76 18.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -45.21 84.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.2 p -108.31 -9.5 15.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.04 28.73 58.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 54' ' ' ASP . 54.2 m -112.85 169.48 8.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.382 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.458 ' N ' HG22 ' A' ' 53' ' ' THR . 25.0 m-20 -96.36 111.6 23.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.93 -39.44 81.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.25 -149.22 20.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.587 HD11 ' HA ' ' A' ' 93' ' ' ASN . 50.1 mm -106.69 153.41 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 37.0 m-85 -146.01 142.99 29.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.59 ' HA ' HD22 ' A' ' 43' ' ' LEU . 27.1 mt -58.86 146.24 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 42' ' ' SER . 13.2 tttt -102.54 -50.6 3.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.441 ' HA ' ' CG ' ' A' ' 76' ' ' MET . 54.8 p 176.65 127.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.791 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.1 mp -70.03 132.55 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.1 mp -83.06 99.91 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -61.85 170.16 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.606 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.585 ' N ' ' CG ' ' A' ' 64' ' ' HIS . . . 54.85 24.62 34.4 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.25 -144.91 5.94 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.88 -62.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.605 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -49.87 -34.12 19.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' ALA . 10.9 t80 -34.79 -39.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -54.7 -72.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 73' ' ' ARG . 10.1 t70 -67.07 -12.56 60.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.791 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -41.55 -25.31 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.436 ' N ' ' C ' ' A' ' 71' ' ' ASP . 8.0 ptm180 -38.45 -28.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 72' ' ' GLY . 25.9 mt -58.17 173.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 76' ' ' MET . 6.7 mtt180 -118.42 129.16 55.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.441 ' CG ' ' HA ' ' A' ' 61' ' ' SER . 2.6 mtm -45.5 174.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.8 m120 68.28 35.5 3.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.644 ' OD2' HG22 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -98.56 122.85 42.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -81.66 114.08 20.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.625 ' HB3' HD12 ' A' ' 88' ' ' LEU . 5.9 mp -71.02 106.4 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.654 ' HA ' HD21 ' A' ' 89' ' ' LEU . 21.5 pt -90.96 3.5 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 166.88 168.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.029 HG21 HD12 ' A' ' 100' ' ' LEU . 3.5 p -160.92 125.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 59.39 17.41 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.63 -13.25 64.23 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.427 1.079 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.493 ' OE1' HG23 ' A' ' 99' ' ' THR . 25.1 tt0 -84.5 135.22 34.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.06 163.07 26.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.625 HD12 ' HB3' ' A' ' 80' ' ' LEU . 83.5 mt -133.15 -46.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.654 HD21 ' HA ' ' A' ' 81' ' ' ILE . 2.9 mt -48.19 -40.79 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.71 -28.3 72.37 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' LEU . 9.1 mttm -90.75 -173.87 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.58 174.37 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.023 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.587 ' HA ' HD11 ' A' ' 57' ' ' ILE . 12.4 m120 -53.94 -40.41 66.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -71.14 -72.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.595 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -40.17 -60.26 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -40.45 -72.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.0 mmm -43.81 -49.46 8.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -56.75 -34.48 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.493 HG23 ' OE1' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -74.7 -27.99 60.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.029 HD12 HG21 ' A' ' 83' ' ' VAL . 10.2 tp -65.27 -71.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -53.75 -19.09 3.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 106' ' ' MET . 0.0 OUTLIER -77.75 -53.59 7.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.453 ' CA ' ' HB2' ' A' ' 107' ' ' GLU . 27.5 m -63.3 -12.17 27.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.691 ' CE ' HD12 ' A' ' 39' ' ' LEU . 22.3 mtt -71.67 -53.07 14.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.456 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.5 OUTLIER -97.42 -29.93 13.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.517 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -75.69 -58.23 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.453 ' HB2' ' CA ' ' A' ' 103' ' ' SER . 16.1 mt-10 -80.47 -20.22 44.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.11 -8.71 64.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.4 m-20 -69.56 -51.89 31.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 0.737 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.632 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -82.05 -34.67 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -79.0 -66.82 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.38 11.93 10.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.12 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.518 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 1.5 ptm -167.1 178.74 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.651 ' CG2' HD21 ' A' ' 39' ' ' LEU . 12.9 tt -138.36 150.64 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.593 ' OE1' HG22 ' A' ' 26' ' ' THR . 19.5 tt0 -116.97 151.79 35.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 81.2 mt -131.23 132.87 44.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.606 HG12 HD11 ' A' ' 81' ' ' ILE . 10.4 t -112.35 108.47 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.644 HG22 ' OD2' ' A' ' 78' ' ' ASP . 1.6 pp -103.74 148.71 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.774 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.2 tm? -122.47 134.25 54.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.616 ' N ' HD13 ' A' ' 119' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.698 ' O ' HD22 ' A' ' 119' ' ' LEU . 5.1 mm-40 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -113.75 142.63 45.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.241 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.515 ' HB3' HD21 ' A' ' 27' ' ' LEU . 53.2 mt -132.55 129.94 39.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.588 ' C ' HD22 ' A' ' 27' ' ' LEU . 61.3 m -114.23 108.31 16.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.735 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -115.91 125.65 52.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -89.86 147.04 24.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.263 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.647 HD11 ' OD2' ' A' ' 71' ' ' ASP . 68.9 mt -139.29 114.61 8.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.554 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -75.02 133.0 16.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' A' ' 39' ' ' LEU . 16.6 mt -111.89 52.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -78.19 -63.18 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.97 -31.53 14.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -37.68 60.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.481 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -49.18 -37.61 24.18 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -38.76 -67.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 0.72 . . . . 0.0 109.964 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.99 -33.78 19.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 136.85 175.8 14.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.805 HD12 ' SD ' ' A' ' 104' ' ' MET . 20.2 mt -40.31 -70.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.5 47.2 0.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.62 ' HA ' HD13 ' A' ' 63' ' ' ILE . 4.4 m -136.68 149.07 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.519 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -102.85 123.05 45.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.624 HD22 ' HA ' ' A' ' 59' ' ' ILE . 13.8 mt -111.59 179.28 4.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -150.99 136.22 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.65 140.71 15.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -130.88 137.96 49.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.322 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.56 152.65 51.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.39 134.41 54.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.22 -47.43 7.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.62 -68.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.4 p -62.76 -42.66 99.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.24 37.61 5.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.41 167.72 21.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 110.413 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -93.84 109.48 21.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' ASP . 91.7 mt -40.22 -44.03 1.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.536 ' O ' ' CZ ' ' A' ' 58' ' ' PHE . . . 129.08 149.86 6.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' A' ' 93' ' ' ASN . 51.9 mm -55.55 148.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 57' ' ' ILE . 18.9 m-85 -144.01 126.49 15.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.666 HD12 ' HB2' ' A' ' 78' ' ' ASP . 50.1 mt -61.59 147.02 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.1 tttp -95.27 -55.83 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -175.31 159.73 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.619 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.7 mp -100.02 139.39 21.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.62 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.4 mp -93.38 111.95 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -65.13 -177.42 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.601 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.24 29.49 3.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.8 -151.74 5.93 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.05 -63.62 1.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 0.756 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.565 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . -44.88 -31.96 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -42.5 -40.59 2.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -57.33 -42.63 82.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.647 ' OD2' HD11 ' A' ' 29' ' ' ILE . 5.5 t0 -88.12 -12.42 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.619 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -36.51 -30.9 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -38.98 -29.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' GLY . 30.6 mt -64.47 -178.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -133.37 126.59 31.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.409 ' O ' ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -42.0 165.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 76' ' ' MET . 2.5 m120 75.71 17.02 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.666 ' HB2' HD12 ' A' ' 59' ' ' ILE . 5.0 m-20 -79.41 115.79 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -70.63 115.76 10.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 78' ' ' ASP . 7.8 mp -82.32 92.3 6.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.801 HD11 HG12 ' A' ' 117' ' ' VAL . 5.4 pt -71.4 -41.28 73.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.681 ' HB1' ' O ' ' A' ' 86' ' ' GLU . . . -144.14 174.15 11.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.134 HG21 HD12 ' A' ' 100' ' ' LEU . 1.9 p -159.47 122.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.56 16.12 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.13 -18.25 42.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.681 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 53.3 mm-40 -65.73 159.33 25.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -106.98 127.77 53.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.348 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 80' ' ' LEU . 35.6 mt -103.62 -19.75 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.595 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.9 mt -55.34 -67.68 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.85 -23.63 5.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -91.34 -176.3 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -116.57 -155.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.974 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.719 ' HA ' HD11 ' A' ' 57' ' ' ILE . 6.6 m120 -71.12 -60.58 2.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -53.89 -69.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.606 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.6 mt-10 -38.15 -68.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -39.12 -68.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.6 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 11.6 mmt -47.75 -42.99 26.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.494 ' OE2' ' CZ ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -61.09 -30.85 70.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -77.41 -43.19 33.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.134 HD12 HG21 ' A' ' 83' ' ' VAL . 8.1 tp -52.77 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.86 -27.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.494 ' CZ ' ' OE2' ' A' ' 98' ' ' GLU . 2.0 ttp180 -67.44 -61.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 107' ' ' GLU . 17.2 m -52.92 -33.0 48.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.805 ' SD ' HD12 ' A' ' 39' ' ' LEU . 16.8 mtt -57.52 -38.01 73.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.474 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 2.4 m -97.0 -26.6 14.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.63 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -87.18 -68.52 0.74 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.634 ' HA ' HD11 ' A' ' 110' ' ' ILE . 23.5 mm-40 -58.66 -23.05 58.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.321 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.475 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -89.89 -7.08 68.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.163 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.9 m-20 -89.84 -55.96 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.68 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -78.87 -40.86 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.6 OUTLIER -94.04 -73.85 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.475 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 117.64 13.44 7.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.554 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 2.7 mtp -142.85 166.85 23.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.474 ' CG2' HD21 ' A' ' 39' ' ' LEU . 18.2 tt -146.06 138.1 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.426 ' CD ' HG23 ' A' ' 26' ' ' THR . 15.4 tt0 -108.72 145.83 34.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.2 mt -123.76 121.1 34.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.801 HG12 HD11 ' A' ' 81' ' ' ILE . 45.6 t -104.65 111.82 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 109.316 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.417 HD11 HD12 ' A' ' 25' ' ' LEU . 1.5 pp -105.74 154.43 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.698 HD22 ' O ' ' A' ' 23' ' ' GLU . 2.9 tm? -137.14 118.97 15.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.724 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -145.66 143.93 30.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.42 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 53.3 mt -128.35 122.57 31.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.58 HG23 HG22 ' A' ' 117' ' ' VAL . 6.5 m -107.92 111.23 23.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.724 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -113.45 126.58 55.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 4.8 mp0 -101.02 145.14 29.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.746 HD11 ' HB3' ' A' ' 71' ' ' ASP . 54.0 mt -133.94 130.83 20.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.674 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.2 Cg_endo -74.99 148.53 35.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.674 HD23 ' O ' ' A' ' 30' ' ' PRO . 29.6 mt -123.57 35.38 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.438 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 1.3 p30 -60.18 -63.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -97.01 -27.38 14.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 t -73.32 -32.55 64.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.39 -34.52 6.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.24 -58.67 2.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.12 -45.87 7.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.35 -152.54 24.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.749 HD21 ' CG2' ' A' ' 114' ' ' ILE . 19.2 mt -58.69 -66.42 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 0.763 . . . . 0.0 109.374 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.79 29.73 4.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.796 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.3 m -126.76 153.21 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.751 . . . . 0.0 109.357 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.518 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -103.08 128.03 50.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.742 HD22 ' HA ' ' A' ' 59' ' ' ILE . 13.2 mt -114.91 -179.93 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.87 143.84 22.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.77 131.64 10.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.612 ' HB3' HD12 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -114.58 151.61 33.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -136.22 150.02 48.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.07 123.94 43.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -91.11 -28.32 17.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -52.02 67.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 p -86.89 -22.68 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.76 19.11 76.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.0 m -118.16 163.46 16.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.3 108.21 20.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.612 HD12 ' HB3' ' A' ' 46' ' ' ASN . 91.3 mt -41.53 -47.62 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.426 ' O ' HD13 ' A' ' 57' ' ' ILE . . . 135.06 -142.15 13.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.702 HG22 HD13 ' A' ' 80' ' ' LEU . 34.6 mm -117.49 151.19 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 30.9 m-85 -150.74 143.15 24.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.742 ' HA ' HD22 ' A' ' 43' ' ' LEU . 23.4 mt -67.17 149.55 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 76' ' ' MET . 12.6 tttt -105.21 -47.17 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.2 p 179.64 154.43 0.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.539 ' HA ' HG12 ' A' ' 41' ' ' VAL . 3.5 mp -96.92 139.16 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.0 mp -90.41 103.33 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -58.15 -173.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.621 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 41.32 35.98 1.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -141.79 -150.23 5.33 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.8 -64.09 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 0.809 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.796 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -47.4 -32.92 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 68' ' ' ALA . 2.6 t80 -36.06 -39.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -53.67 -71.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.746 ' HB3' HD11 ' A' ' 29' ' ' ILE . 8.4 t0 -66.13 -11.55 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.521 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -38.56 -27.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -36.71 -30.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.774 . . . . 0.0 110.349 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.9 mt -59.27 -174.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.46 127.96 21.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.523 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -43.29 167.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.96 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 76' ' ' MET . 8.1 m-20 83.7 -5.25 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.437 ' OD2' HD22 ' A' ' 74' ' ' LEU . 8.2 m-20 -70.95 94.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -50.97 139.45 17.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.702 HD13 HG22 ' A' ' 57' ' ' ILE . 2.1 mp -93.23 104.94 17.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.628 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 30.6 pt -91.81 8.09 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 168.41 171.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.899 HG21 HD12 ' A' ' 100' ' ' LEU . 2.8 p -163.0 125.13 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.453 ' ND2' ' HB3' ' A' ' 107' ' ' GLU . 0.1 OUTLIER 55.28 26.14 8.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.14 -10.19 74.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 83' ' ' VAL . 35.0 tt0 -86.27 140.77 29.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.13 157.93 36.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.422 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.562 HD12 ' HB3' ' A' ' 80' ' ' LEU . 34.9 mt -128.66 -49.88 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.613 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.8 mt -47.92 -47.57 32.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.95 -32.27 56.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -84.46 -167.61 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 0.808 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.08 -168.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.481 ' HA ' HD11 ' A' ' 57' ' ' ILE . 33.3 m120 -72.04 -30.36 65.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -82.07 -69.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.573 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' THR . 4.2 mt-10 -39.68 -59.81 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -41.59 -72.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.643 ' CE ' HG23 ' A' ' 57' ' ' ILE . 15.2 mmt -49.09 -33.76 12.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -28.0 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -75.63 -41.75 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.386 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.899 HD12 HG21 ' A' ' 83' ' ' VAL . 8.9 tp -43.06 -72.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -48.7 -36.97 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -55.97 -54.86 39.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 107' ' ' GLU . 1.9 m -65.59 -38.73 90.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.632 ' SD ' HD12 ' A' ' 39' ' ' LEU . 20.3 mtp -60.45 -25.47 66.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.45 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.5 OUTLIER -96.83 -32.73 11.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.647 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -92.65 -68.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.684 ' HA ' HD11 ' A' ' 110' ' ' ILE . 3.2 mm-40 -54.3 -18.78 4.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.447 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.46 -5.79 60.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 105' ' ' SER . 4.0 m-20 -93.15 -56.63 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.684 HD11 ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -74.98 -40.93 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -87.76 -71.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 121.15 9.72 7.16 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.453 1.096 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.433 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 5.4 ptm -156.02 173.12 17.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 0.815 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.749 ' CG2' HD21 ' A' ' 39' ' ' LEU . 3.9 tt -133.52 148.44 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.567 ' OE1' HG21 ' A' ' 26' ' ' THR . 0.0 OUTLIER -111.34 147.18 35.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.5 mt -131.13 129.41 41.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.592 HG12 HD11 ' A' ' 81' ' ' ILE . 3.7 t -113.08 118.41 57.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -111.51 156.71 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.724 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.4 tm? -123.55 124.5 42.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.5 ttp85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.805 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.1 143.81 48.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.6 mt -126.01 147.97 49.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.569 ' C ' HD22 ' A' ' 27' ' ' LEU . 86.8 m -133.08 112.68 11.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.729 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -114.68 124.74 52.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -88.02 142.73 27.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.652 HG21 ' CD2' ' A' ' 39' ' ' LEU . 55.8 mt -132.76 127.21 20.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.648 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.01 138.15 22.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 30' ' ' PRO . 10.7 mt -118.31 36.36 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 1.3 p30 -62.22 -63.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -97.12 -29.03 13.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.6 OUTLIER -72.46 -36.09 68.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.427 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -45.06 -34.63 4.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m -39.83 -70.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.78 -12.14 27.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' SER . . . 112.81 -173.47 15.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.652 ' CD2' HG21 ' A' ' 29' ' ' ILE . 16.2 mt -40.45 -64.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.489 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 107.44 38.77 2.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.566 ' HA ' HD13 ' A' ' 63' ' ' ILE . 3.9 m -138.3 150.02 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.935 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -100.92 146.58 27.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.935 HD23 ' C ' ' A' ' 42' ' ' SER . 3.5 mt -121.03 168.75 11.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.23 152.37 44.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.4 131.22 9.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -113.04 132.64 55.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 0.797 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.79 148.24 43.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.58 137.72 54.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -90.93 -36.94 13.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -53.36 -56.33 17.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.7 p -77.24 -32.53 55.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.21 44.6 17.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.576 1.172 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.7 t -149.12 -167.21 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 110.398 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.41 109.29 21.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.5 mt -47.26 -47.8 24.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.07 -159.82 28.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.458 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 29.8 mm -114.05 143.03 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.756 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 58' ' ' PHE . 2.8 m-85 -138.46 132.47 31.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.537 HD12 ' HB2' ' A' ' 78' ' ' ASP . 70.6 mt -50.56 146.76 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 76' ' ' MET . 1.2 tttt -100.06 -51.11 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.26 154.71 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.726 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.7 mp -99.49 138.97 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.566 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.7 mp -94.42 110.1 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -63.49 176.97 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 109.585 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 52.66 27.01 26.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.57 -155.53 7.51 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.34 -58.48 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -49.56 -35.78 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -38.27 -41.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -52.96 -50.53 63.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.569 ' CB ' HD11 ' A' ' 29' ' ' ILE . 25.9 t0 -84.27 -13.24 53.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.726 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -36.81 -30.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' ASP . 12.5 ptm180 -38.13 -30.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' GLY . 24.5 mt -63.51 -178.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 76' ' ' MET . 2.8 mmm180 -131.52 130.1 41.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -42.93 167.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 76' ' ' MET . 4.4 m-20 82.85 0.21 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.581 ' O ' HD12 ' A' ' 80' ' ' LEU . 40.6 m-20 -65.56 101.03 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.54 130.7 47.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.604 ' HB3' HD12 ' A' ' 88' ' ' LEU . 7.1 mp -91.53 106.34 18.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.648 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 18.1 pt -89.61 2.75 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 166.24 -173.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.689 HG21 HD12 ' A' ' 100' ' ' LEU . 2.6 p -169.3 121.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 103' ' ' SER . 2.1 m-20 56.95 23.11 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.17 -11.93 65.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.474 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 45.6 tt0 -81.32 142.3 33.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.1 160.93 23.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.433 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.604 HD12 ' HB3' ' A' ' 80' ' ' LEU . 96.4 mt -134.47 -46.69 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.611 ' N ' HD23 ' A' ' 89' ' ' LEU . 3.0 mt -48.71 -38.3 21.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.58 -33.01 85.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -79.25 -175.03 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 75.0 m -102.89 172.05 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.426 ' HA ' HD11 ' A' ' 57' ' ' ILE . 26.4 m120 -52.57 -32.48 41.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 95' ' ' GLU . 86.4 t60 -81.04 -75.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.623 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' GLU . 10.2 mt-10 -37.88 -52.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.95 -67.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 40.6 mmm -55.9 -27.4 51.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 95' ' ' GLU . 7.7 mm-40 -73.1 -39.74 65.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -59.36 -30.26 68.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.689 HD12 HG21 ' A' ' 83' ' ' VAL . 11.1 tp -60.58 -71.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -44.15 -32.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 8.5 mmt-85 -65.1 -58.21 6.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.414 ' HB3' ' ND2' ' A' ' 84' ' ' ASN . 1.3 m -54.07 -31.85 52.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.537 ' CG ' HD12 ' A' ' 114' ' ' ILE . 23.8 mtt -63.48 -51.54 65.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.449 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 1.7 m -73.21 -20.59 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -59.35 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 9.9 mm-40 -73.48 -40.28 64.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.418 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -67.17 -7.57 45.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.5 m-20 -81.45 -58.9 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.787 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -96.74 -43.66 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.557 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -70.78 -71.93 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.418 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 109.64 7.98 27.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.555 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -140.93 -179.46 6.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.537 HD12 ' CG ' ' A' ' 104' ' ' MET . 17.1 tt -148.48 136.42 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 83' ' ' VAL . 11.1 tt0 -105.64 141.77 36.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.0 mt -124.68 117.72 24.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.571 HG12 HD11 ' A' ' 81' ' ' ILE . 3.4 t -97.14 122.02 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.6 pp -115.36 164.48 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.805 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -132.6 127.52 35.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.688 ' O ' HD22 ' A' ' 119' ' ' LEU . 8.5 mm-40 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.506 ' HG3' HD11 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -129.64 142.25 50.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.442 ' HB3' HD21 ' A' ' 27' ' ' LEU . 26.7 mt -129.81 126.11 37.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.691 ' C ' HD22 ' A' ' 27' ' ' LEU . 28.7 m -98.73 110.22 22.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.691 HD22 ' C ' ' A' ' 26' ' ' THR . 0.7 OUTLIER -109.88 125.92 53.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -105.72 116.23 31.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 29' ' ' ILE . 15.6 mm -110.91 126.21 29.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.496 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -74.98 142.14 27.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 39.2 mt -116.85 38.1 3.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -59.37 -63.39 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.56 -21.65 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' GLY . 2.5 t -74.51 -52.12 12.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.473 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -36.4 -44.93 0.9 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.51 -54.08 2.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.09 -38.16 11.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.12 -166.21 22.82 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.94 HD21 HG21 ' A' ' 114' ' ' ILE . 26.5 mt -58.18 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.22 37.49 3.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 62' ' ' ILE . 2.4 m -140.4 155.67 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.907 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -114.69 141.63 47.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.97 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.907 HD23 ' C ' ' A' ' 42' ' ' SER . 3.7 mt -119.23 169.64 9.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.94 136.88 46.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.47 129.87 10.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.418 ' HB3' HD12 ' A' ' 55' ' ' LEU . 1.1 t-20 -115.47 138.98 50.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 tttt -126.15 149.26 49.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.6 131.9 54.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.052 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -51.76 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -41.4 -57.6 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.9 p -80.44 -45.5 17.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.63 4.45 60.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.095 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 m -100.48 160.85 14.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.358 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.53 117.58 22.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' A' ' 46' ' ' ASN . 94.9 mt -54.37 -38.33 65.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.61 -147.81 19.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 93' ' ' ASN . 33.4 mm -117.26 136.17 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 78' ' ' ASP . 7.3 m-85 -126.17 126.66 44.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.509 ' HA ' HD22 ' A' ' 43' ' ' LEU . 17.9 mt -53.01 147.87 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.67 -57.05 2.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 p -178.57 148.84 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.601 ' HA ' HG12 ' A' ' 41' ' ' VAL . 2.2 mp -90.76 132.79 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.8 mp -86.63 147.84 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.91 176.25 6.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.75 24.45 60.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.57 -159.16 8.27 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.69 -55.18 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.779 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -47.05 -38.95 11.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -38.88 -47.44 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -56.59 -46.11 81.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 68' ' ' ALA . 2.3 t0 -77.7 -12.89 60.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.493 ' HA2' HG21 ' A' ' 62' ' ' ILE . . . -39.2 -27.82 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -39.22 -28.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.316 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 72' ' ' GLY . 21.8 mt -66.47 175.26 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -121.58 126.07 48.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -178.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 66.57 17.67 10.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.604 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -78.89 -158.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -145.2 108.82 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.572 ' HB3' HD12 ' A' ' 88' ' ' LEU . 6.5 mp -67.41 118.61 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.736 HD11 HG12 ' A' ' 117' ' ' VAL . 25.9 pt -106.38 5.64 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 164.64 174.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.752 HG21 HD12 ' A' ' 100' ' ' LEU . 2.5 p -163.5 119.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.2 17.03 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.89 -13.44 62.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -82.18 143.11 31.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.28 159.11 30.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.572 HD12 ' HB3' ' A' ' 80' ' ' LEU . 55.9 mt -130.7 -45.85 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.642 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.4 mt -50.18 -40.04 45.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.58 -22.51 63.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.105 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -93.76 -164.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 3.9 m -111.69 -176.37 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.526 ' HA ' HD11 ' A' ' 57' ' ' ILE . 97.6 m-20 -65.73 -22.28 66.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 4.8 p-80 -93.59 -74.03 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.634 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 94' ' ' HIS . 11.2 mt-10 -35.31 -45.69 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.89 -70.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 50.5 mmm -41.8 -36.94 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.18 -47.53 73.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 m -53.84 -33.3 55.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.752 HD12 HG21 ' A' ' 83' ' ' VAL . 8.8 tp -55.93 -73.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -50.03 -38.18 36.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -52.85 58.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.2 OUTLIER -68.33 -39.48 81.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.597 ' SD ' HD12 ' A' ' 39' ' ' LEU . 15.6 mtp -58.87 -26.17 63.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.8 p -95.67 -42.43 8.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.607 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -88.51 -67.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.677 ' HA ' HD11 ' A' ' 110' ' ' ILE . 4.7 mm-40 -54.31 -21.04 8.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.236 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.434 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.79 -6.37 59.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -89.68 -54.34 4.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.677 HD11 ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -76.08 -40.3 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -84.5 -71.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 119.51 8.4 9.2 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.496 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 1.1 ptt? -156.92 174.44 15.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 0.794 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.94 HG21 HD21 ' A' ' 39' ' ' LEU . 11.6 tt -137.02 147.85 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.501 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 6.6 tt0 -111.52 140.2 46.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 15.5 mt -121.58 119.01 30.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.736 HG12 HD11 ' A' ' 81' ' ' ILE . 21.1 t -102.87 112.25 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 1.2 pp -108.64 150.17 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.688 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.1 tm? -123.03 129.3 51.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.694 ' O ' HD22 ' A' ' 119' ' ' LEU . 8.6 mm-40 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.82 141.03 52.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.6 mt -135.7 119.49 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.608 HG23 HG22 ' A' ' 117' ' ' VAL . 1.9 m -101.11 107.31 18.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.627 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.5 mm? -109.93 128.61 55.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.09 143.09 34.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' ' 71' ' ' ASP . 7.7 mm -135.84 133.34 19.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.666 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.2 Cg_endo -75.02 149.6 36.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.568 1.825 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.78 HD11 ' CG2' ' A' ' 114' ' ' ILE . 24.5 mt -130.65 53.66 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -87.15 -57.64 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.39 -40.18 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -28.36 59.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -46.84 -39.38 11.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' GLY . 2.5 m -38.78 -56.89 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.02 -25.77 17.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 117.6 -171.2 13.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.924 HD21 ' CG2' ' A' ' 114' ' ' ILE . 24.7 mt -39.06 -68.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 106.78 44.13 1.34 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.552 ' HA ' HD13 ' A' ' 63' ' ' ILE . 2.4 m -143.5 157.5 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 0.728 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.95 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -112.02 140.08 46.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.987 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.95 HD23 ' C ' ' A' ' 42' ' ' SER . 2.9 mt -118.98 175.51 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -135.97 139.28 43.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.44 117.9 6.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -101.87 134.93 44.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -132.36 148.28 52.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.91 137.36 51.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -89.93 -36.48 14.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.243 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.99 -56.52 21.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.7 p -78.42 -23.36 46.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.68 41.73 98.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.1 m -141.44 159.66 41.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.756 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.44 113.99 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 61.5 mt -58.46 -36.76 74.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.8 -165.87 24.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.749 HD11 ' HA ' ' A' ' 93' ' ' ASN . 30.0 mm -104.8 146.32 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -137.27 140.55 41.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.499 ' HA ' HD22 ' A' ' 43' ' ' LEU . 39.2 mt -65.42 146.9 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.06 -56.29 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 p -177.74 147.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.612 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.6 mp -86.5 137.62 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.552 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.6 mp -89.47 101.82 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.513 ' CD2' ' N ' ' A' ' 65' ' ' GLY . 7.1 t60 -64.97 155.33 34.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.587 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.513 ' N ' ' CD2' ' A' ' 64' ' ' HIS . . . 81.49 11.98 82.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.133 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.88 -150.54 7.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.48 -64.73 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' GLY . . . -42.17 -34.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.475 ' CE1' ' ND1' ' A' ' 64' ' ' HIS . 6.8 t80 -38.11 -48.46 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -47.77 -71.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.609 ' HB2' HD11 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -63.33 -12.91 33.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.612 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.37 -29.66 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.09 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.3 OUTLIER -39.48 -28.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 110.277 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.492 HD11 HD23 ' A' ' 27' ' ' LEU . 28.8 mt -65.19 171.34 3.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 76' ' ' MET . 1.6 mmt-85 -117.92 129.67 55.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.412 ' O ' ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -51.0 -175.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 60.97 14.54 5.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.4 127.31 32.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -79.84 130.91 35.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.573 ' N ' HD12 ' A' ' 80' ' ' LEU . 4.4 mp -87.19 97.04 10.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.625 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.9 pt -77.11 -4.91 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 168.33 172.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 115' ' ' GLN . 5.7 p -159.15 136.36 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.906 ' OD1' HG22 ' A' ' 83' ' ' VAL . 0.8 OUTLIER 43.7 52.7 6.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.23 23.05 46.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.579 1.175 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 83' ' ' VAL . 20.7 tt0 -113.94 145.59 41.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -83.44 149.77 26.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.461 HD11 ' CG1' ' A' ' 83' ' ' VAL . 40.4 mt -127.28 -49.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.598 ' N ' HD23 ' A' ' 89' ' ' LEU . 3.3 mt -50.73 -36.91 38.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.54 -29.18 63.45 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -99.57 -167.39 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.783 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 80.0 p -108.97 -179.04 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.749 ' HA ' HD11 ' A' ' 57' ' ' ILE . 88.8 m-20 -54.39 -48.29 71.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -62.73 -74.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.633 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' GLU . 8.5 mt-10 -39.76 -63.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.76 -68.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.1 mmm -46.46 -34.0 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -64.73 -32.03 73.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 96' ' ' ALA . 1.3 m -74.7 -46.32 38.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.853 HD12 HG21 ' A' ' 83' ' ' VAL . 8.1 tp -48.9 -67.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 104' ' ' MET . 52.0 ttp180 -50.08 -61.5 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.304 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -46.5 -35.85 6.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -68.18 -34.63 76.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.915 ' HE1' HD12 ' A' ' 39' ' ' LEU . 20.6 mtt -64.92 -30.37 71.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.43 -13.21 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.525 ' O ' HD13 ' A' ' 110' ' ' ILE . 3.6 mmt -95.78 -52.68 3.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.558 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 7.1 mm-40 -74.08 -43.99 55.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.486 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -68.67 -6.89 52.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -82.25 -57.87 3.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.765 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -95.86 -41.57 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -76.34 -48.42 20.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.486 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 90.97 13.82 58.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.458 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 9.1 ptp -159.07 173.52 16.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.924 ' CG2' HD21 ' A' ' 39' ' ' LEU . 18.0 tt -138.65 140.07 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.945 ' O ' HG23 ' A' ' 83' ' ' VAL . 14.1 tt0 -99.43 153.06 19.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.427 ' CD2' HD11 ' A' ' 100' ' ' LEU . 37.9 mt -137.6 118.56 14.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.61 HG12 HD11 ' A' ' 81' ' ' ILE . 5.0 t -101.16 123.86 54.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -118.16 151.46 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.694 HD22 ' O ' ' A' ' 23' ' ' GLU . 2.8 tm? -131.48 116.37 17.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.84 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -125.55 147.58 49.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.7 ' HB3' HD21 ' A' ' 27' ' ' LEU . 30.5 mt -132.35 128.22 37.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.7 ' C ' HD22 ' A' ' 27' ' ' LEU . 49.1 m -102.21 109.42 21.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.762 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -119.99 127.11 52.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -100.49 152.26 20.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -146.41 116.48 4.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.705 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.98 149.31 36.63 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.452 1.764 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 30' ' ' PRO . 17.4 mt -129.93 62.34 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -89.32 -62.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -92.54 -32.88 14.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 t -78.71 -30.21 45.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.031 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.61 -39.62 54.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.3 p -42.21 -49.89 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.003 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.1 -45.48 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 145.07 -176.26 24.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.62 HD21 ' CG2' ' A' ' 114' ' ' ILE . 18.8 mt -40.33 -69.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.33 38.42 1.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.636 ' HA ' HD13 ' A' ' 63' ' ' ILE . 4.3 m -144.75 151.46 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.794 ' C ' HD23 ' A' ' 43' ' ' LEU . 4.0 t -98.32 137.27 37.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.794 HD23 ' C ' ' A' ' 42' ' ' SER . 6.3 mt -117.16 179.74 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.14 138.41 19.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.8 132.91 11.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.28 137.74 51.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -127.48 147.34 50.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.43 125.67 53.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -52.69 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.31 -65.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.5 p -68.42 -39.85 81.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.91 46.05 5.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.479 HG22 ' N ' ' A' ' 54' ' ' ASP . 58.1 m -141.16 170.85 14.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.446 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.479 ' N ' HG22 ' A' ' 53' ' ' THR . 0.5 OUTLIER -89.84 102.59 15.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -42.2 -38.18 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.16 -162.78 22.57 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.627 HG23 ' CE ' ' A' ' 97' ' ' MET . 40.7 mm -108.16 148.18 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 4.4 m-85 -142.59 155.99 45.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.479 ' HA ' HD22 ' A' ' 43' ' ' LEU . 34.0 mt -81.08 147.79 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 42' ' ' SER . 4.1 ttpt -97.1 -53.06 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.53 168.38 3.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.71 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.8 mp -109.79 137.99 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.636 HD13 ' HA ' ' A' ' 41' ' ' VAL . 2.6 mp -91.6 111.55 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.799 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 8.1 t-80 -72.46 148.31 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.468 ' N ' ' ND1' ' A' ' 64' ' ' HIS . . . 86.97 10.27 72.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.47 -147.87 7.94 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.84 -50.85 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 72' ' ' GLY . . . -55.77 -35.81 66.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.799 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 3.8 t80 -36.99 -44.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -54.18 -53.23 56.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' ARG . 5.1 t0 -77.45 -12.8 60.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.71 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.1 -30.22 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASP . 9.9 ptm180 -38.12 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.718 HD11 ' HG ' ' A' ' 27' ' ' LEU . 32.9 mt -63.44 177.8 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -128.73 124.1 34.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.511 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -42.64 166.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 76' ' ' MET . 1.9 m-20 83.27 -0.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.496 ' O ' HD12 ' A' ' 80' ' ' LEU . 2.4 m-20 -63.15 114.47 3.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 58' ' ' PHE . 7.8 tt0 -68.76 124.15 22.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 78' ' ' ASP . 8.3 mp -83.43 116.14 22.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.64 HD11 HG12 ' A' ' 117' ' ' VAL . 2.8 pt -104.51 -44.65 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 86' ' ' GLU . . . -146.3 135.15 22.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.793 HG21 HD12 ' A' ' 100' ' ' LEU . 0.9 OUTLIER -120.75 126.51 75.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.75 ' OD1' HG22 ' A' ' 83' ' ' VAL . 0.9 OUTLIER 46.37 31.43 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.33 -28.86 10.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -56.54 131.19 47.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.79 . . . . 0.0 110.329 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.442 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -83.18 131.95 35.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.372 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.44 HD11 HG12 ' A' ' 83' ' ' VAL . 59.7 mt -111.27 -23.98 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.531 HD21 ' CB ' ' A' ' 81' ' ' ILE . 6.7 mt -49.23 -67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -50.9 -32.15 25.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -80.04 179.24 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.751 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 40.9 m -117.9 -177.49 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.623 ' HA ' HD11 ' A' ' 57' ' ' ILE . 39.8 m-20 -53.83 -48.79 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -61.57 -73.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.0 mt-10 -40.85 -62.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.59 -70.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.627 ' CE ' HG23 ' A' ' 57' ' ' ILE . 13.5 mmt -48.2 -35.85 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -30.89 69.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 96' ' ' ALA . 2.8 m -72.84 -41.05 65.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.793 HD12 HG21 ' A' ' 83' ' ' VAL . 9.4 tp -50.59 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -42.22 -37.46 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -63.19 -60.84 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -58.91 -35.86 73.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.513 ' SD ' HD12 ' A' ' 39' ' ' LEU . 45.6 mtp -56.61 -32.09 64.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.95 -25.66 15.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.618 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -87.01 -66.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.632 ' HA ' HD11 ' A' ' 110' ' ' ILE . 13.2 mm-40 -54.57 -17.81 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.478 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -93.74 -7.13 61.72 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -93.11 -57.66 2.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.654 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -76.98 -39.87 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -95.44 -72.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.478 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 117.52 20.38 4.68 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.525 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -159.6 179.15 9.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 111.059 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.66 ' CG2' HD11 ' A' ' 31' ' ' LEU . 12.5 tt -154.56 139.75 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.671 ' NE2' HG23 ' A' ' 26' ' ' THR . 36.2 tt0 -105.28 160.2 15.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 115' ' ' GLN . 30.9 mt -133.5 120.99 21.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.64 HG12 HD11 ' A' ' 81' ' ' ILE . 39.5 t -104.48 116.74 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.424 HD13 ' OD1' ' A' ' 78' ' ' ASP . 1.3 pp -106.94 155.98 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 23' ' ' GLU . 2.3 tm? -145.72 121.46 10.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.536 ' N ' HD13 ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.586 ' O ' HD22 ' A' ' 119' ' ' LEU . 2.5 mt-10 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.659 ' HG3' HD11 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -143.66 144.03 31.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.409 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 27.9 mt -119.93 155.71 32.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.616 ' C ' HD22 ' A' ' 27' ' ' LEU . 29.6 m -133.25 107.71 8.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.708 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -112.9 130.48 56.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -97.01 155.72 16.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.742 HD11 ' CB ' ' A' ' 71' ' ' ASP . 25.0 mt -146.16 122.49 5.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.42 ' C ' HD23 ' A' ' 31' ' ' LEU . 18.5 Cg_endo -74.99 132.92 15.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 0.0 111.055 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.542 HD21 ' CD2' ' A' ' 39' ' ' LEU . 15.8 mt -112.02 49.87 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -77.72 -63.66 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -90.58 -33.25 15.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -43.99 53.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 109.999 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -40.25 -38.77 1.42 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -37.17 -65.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 110.014 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.35 -28.11 15.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 135.35 178.41 15.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.542 ' CD2' HD21 ' A' ' 31' ' ' LEU . 14.3 mt -39.15 -67.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.535 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 115.69 27.01 3.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.47 ' HA ' HD13 ' A' ' 63' ' ' ILE . 4.4 m -128.68 149.22 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.913 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -102.05 140.6 36.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.913 HD23 ' C ' ' A' ' 42' ' ' SER . 3.0 mt -116.09 176.29 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.15 151.33 48.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.34 132.87 11.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.488 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 2.2 m-20 -113.86 124.18 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -116.8 152.2 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.93 131.53 56.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -47.89 10.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -40.38 -57.58 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.2 p -83.32 -41.0 18.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.411 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.08 49.37 3.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.462 HG22 ' H ' ' A' ' 54' ' ' ASP . 9.3 m -146.03 173.78 11.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.462 ' H ' HG22 ' A' ' 53' ' ' THR . 4.6 m-20 -99.19 108.16 20.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.9 mt -47.74 -54.77 11.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.22 -145.01 10.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.535 HD11 ' HA ' ' A' ' 93' ' ' ASN . 35.3 mm -117.81 145.25 23.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 4.9 m-85 -139.61 130.09 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.454 HD12 ' HB2' ' A' ' 78' ' ' ASP . 49.4 mt -51.72 152.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.41 -51.42 2.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.91 149.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.962 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.66 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.4 mp -93.64 139.46 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.535 HD13 ' O ' ' A' ' 40' ' ' GLY . 3.8 mp -94.44 97.8 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -52.37 -176.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.614 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 43.83 35.7 3.35 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.83 -151.27 5.55 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.54 -57.56 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.434 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -53.21 -31.09 41.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -40.58 -40.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -53.25 -47.26 69.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.742 ' CB ' HD11 ' A' ' 29' ' ' ILE . 22.8 t0 -86.89 -13.33 45.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.66 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -38.13 -29.04 0.05 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 71' ' ' ASP . 13.5 ptp180 -39.15 -29.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.2 mt -67.56 178.83 1.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -127.59 137.34 52.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.5 176.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 63.43 27.5 15.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.456 ' HB3' ' CG2' ' A' ' 118' ' ' ILE . 48.4 m-20 -90.45 93.09 9.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -51.96 127.55 21.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 80' ' ' LEU . 3.5 mp -86.94 92.61 9.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.804 ' HA ' HD21 ' A' ' 89' ' ' LEU . 28.1 pt -73.31 -6.02 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 178.45 -179.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.02 HG21 HD12 ' A' ' 100' ' ' LEU . 2.6 p -169.36 122.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.239 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.32 19.97 4.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.77 -8.74 68.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.73 ' HG2' HG21 ' A' ' 99' ' ' THR . 0.7 OUTLIER -87.6 130.46 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.65 153.94 42.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.416 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.443 HD12 ' HB3' ' A' ' 80' ' ' LEU . 80.6 mt -126.28 -43.16 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.804 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.2 mt -48.18 -39.75 21.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.4 -28.8 71.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' LEU . 7.3 mttt -94.9 -175.63 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 50.3 m -103.99 -172.03 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.535 ' HA ' HD11 ' A' ' 57' ' ' ILE . 44.4 m-20 -62.14 -51.29 68.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 95' ' ' GLU . 74.7 t60 -62.84 -71.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' ALA . 6.4 mt-10 -38.47 -65.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.71 -68.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.417 ' HG2' ' CD1' ' A' ' 57' ' ' ILE . 17.3 mmm -47.35 -37.59 11.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -63.19 -30.58 71.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.73 HG21 ' HG2' ' A' ' 86' ' ' GLU . 1.2 m -77.79 -44.23 28.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 1.02 HD12 HG21 ' A' ' 83' ' ' VAL . 14.3 tp -45.29 -74.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.427 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 19.0 ptt180 -46.78 -26.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -73.53 -61.24 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.429 ' CA ' ' HB2' ' A' ' 107' ' ' GLU . 1.9 m -59.14 -13.49 7.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.064 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.535 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 11.7 mtm -75.18 -46.17 35.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.3 OUTLIER -97.14 -36.48 10.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -62.4 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.429 ' HB2' ' CA ' ' A' ' 103' ' ' SER . 3.6 mm-40 -74.26 -18.69 60.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -93.9 -8.64 60.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 105' ' ' SER . 1.7 m-20 -72.69 -36.41 67.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.802 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -97.34 -34.49 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.414 ' N ' HG12 ' A' ' 110' ' ' ILE . 2.4 mmp_? -79.89 -69.07 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 117.58 10.34 9.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.484 ' SD ' ' C ' ' A' ' 113' ' ' MET . 0.0 OUTLIER -161.8 -168.65 2.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 111.011 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.465 ' CG2' HD21 ' A' ' 39' ' ' LEU . 5.6 tt -148.3 133.43 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.458 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 9.6 tt0 -95.61 129.7 42.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.1 mt -113.66 117.9 32.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.736 HG12 HD11 ' A' ' 81' ' ' ILE . 38.5 t -104.72 126.62 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 78' ' ' ASP . 1.5 pp -117.74 147.87 20.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.736 ' HB2' HG21 ' A' ' 81' ' ' ILE . 3.1 tm? -115.44 122.02 44.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 64.42 109.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.78 . . . . 0.0 110.03 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.28 132.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.024 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.13 -165.99 18.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -156.4 168.53 27.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.962 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.32 166.22 31.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.019 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.69 -131.12 10.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.13 130.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.276 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.24 94.04 3.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.56 -70.17 0.52 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.123 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 63.66 93.21 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 57.5 4.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.5 t0 178.03 146.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -60.49 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 108.293 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -173.56 131.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -137.3 118.18 14.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.5 mt -123.84 -59.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 m -136.31 132.95 36.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.28 135.61 57.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.68 155.28 33.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 110.34 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.2 p -166.4 148.29 6.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.633 ' HB2' HD21 ' A' ' 119' ' ' LEU . 4.6 m -47.78 153.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.794 ' O ' HD22 ' A' ' 119' ' ' LEU . 4.8 mt-10 -109.07 161.87 14.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.406 ' HG3' HD11 ' A' ' 81' ' ' ILE . 0.5 OUTLIER -136.25 140.85 43.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 mt -117.79 150.2 39.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.604 ' C ' HD22 ' A' ' 27' ' ' LEU . 12.4 m -124.92 108.29 11.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.604 HD22 ' C ' ' A' ' 26' ' ' THR . 1.3 mm? -107.76 137.69 45.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.52 123.62 50.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.3 mp -121.83 121.0 28.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.525 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.4 Cg_endo -74.99 138.23 22.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.631 HD21 HD23 ' A' ' 39' ' ' LEU . 20.1 mt -117.25 49.97 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -80.69 -61.4 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.86 -33.77 15.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -76.01 -44.52 39.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.951 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -39.68 -44.5 2.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 m -38.08 -58.42 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.94 -45.03 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.28 -176.03 27.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.085 HD21 HG21 ' A' ' 114' ' ' ILE . 29.2 mt -44.95 -62.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.553 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 111.69 13.87 12.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 62' ' ' ILE . 5.7 m -123.07 155.27 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 0.759 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.956 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -112.28 144.07 42.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.943 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.956 HD23 ' C ' ' A' ' 42' ' ' SER . 3.2 mt -121.19 163.98 17.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.96 139.52 46.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.28 139.91 14.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.3 130.56 55.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.88 148.62 36.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.95 129.85 54.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -87.86 -26.9 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.715 ' HG2' HG23 ' A' ' 51' ' ' THR . 1.4 pm0 -63.5 -29.09 70.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.715 HG23 ' HG2' ' A' ' 50' ' ' GLU . 6.8 p -108.23 -36.49 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.355 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.89 22.13 53.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.69 HG23 ' N ' ' A' ' 54' ' ' ASP . 1.2 t -122.54 -164.22 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 0.773 . . . . 0.0 110.411 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.69 ' N ' HG23 ' A' ' 53' ' ' THR . 0.1 OUTLIER -114.52 104.25 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -42.3 -39.98 2.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.67 -150.77 21.29 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.799 HD11 ' HA ' ' A' ' 93' ' ' ASN . 23.9 mm -117.37 143.16 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.488 ' CZ ' ' CD ' ' A' ' 79' ' ' GLN . 6.4 m-85 -140.39 141.14 35.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.611 ' HA ' HD22 ' A' ' 43' ' ' LEU . 39.1 mt -54.25 145.38 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.68 -48.44 4.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.0 139.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.04 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.645 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.3 mp -85.63 139.82 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.553 HD13 ' O ' ' A' ' 40' ' ' GLY . 4.1 mp -96.63 101.17 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -53.1 -175.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.583 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 47.07 26.58 3.12 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.26 -155.06 8.55 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.93 -51.05 5.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 0.804 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -58.99 -31.67 68.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 68' ' ' ALA . 6.5 t80 -36.86 -42.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -51.2 -50.98 58.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -86.07 -13.0 48.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.645 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -43.31 -24.12 0.32 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 71' ' ' ASP . 1.6 ptm180 -37.84 -29.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 110.275 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' GLY . 25.2 mt -67.45 -174.03 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.85 143.04 46.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -49.13 173.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 71.62 19.82 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.703 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -86.67 95.14 9.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.488 ' CD ' ' CZ ' ' A' ' 58' ' ' PHE . 32.2 tt0 -52.17 131.97 32.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.703 HD12 ' O ' ' A' ' 78' ' ' ASP . 6.9 mp -97.52 93.39 6.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.849 HG22 HD11 ' A' ' 89' ' ' LEU . 21.0 pt -73.74 -4.17 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 178.07 -176.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.02 HG21 HD12 ' A' ' 100' ' ' LEU . 2.7 p -171.87 114.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.61 20.46 9.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.62 -8.34 68.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.711 ' HG2' HG21 ' A' ' 99' ' ' THR . 0.4 OUTLIER -90.92 131.01 36.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 110.326 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.34 155.77 40.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.624 HD12 ' HB3' ' A' ' 80' ' ' LEU . 65.4 mt -125.97 -44.15 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.849 HD11 HG22 ' A' ' 81' ' ' ILE . 3.2 mt -48.55 -40.72 28.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.36 -25.98 63.47 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 88' ' ' LEU . 7.7 mttt -97.99 -174.72 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -103.2 -174.57 2.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.799 ' HA ' HD11 ' A' ' 57' ' ' ILE . 6.2 m120 -60.21 -52.23 66.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 95' ' ' GLU . 7.2 p-80 -61.92 -71.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.625 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 98' ' ' GLU . 8.4 mt-10 -38.39 -64.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -39.91 -69.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 33.6 mmm -49.43 -28.22 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -73.24 -28.63 62.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.711 HG21 ' HG2' ' A' ' 86' ' ' GLU . 1.3 m -74.06 -42.87 59.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.02 HD12 HG21 ' A' ' 83' ' ' VAL . 8.5 tp -45.84 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -33.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -62.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.2 m -59.0 -28.83 66.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.472 ' HG3' ' CD1' ' A' ' 114' ' ' ILE . 26.6 mtp -66.0 -35.23 80.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.4 -21.15 17.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.06 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.544 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -84.33 -57.68 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 4.4 mm-40 -72.01 -40.12 68.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.492 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -67.73 -7.0 46.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 106' ' ' MET . 5.6 t30 -88.98 -66.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.766 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.605 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -76.8 -39.42 30.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -87.18 -70.7 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.492 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 111.01 9.61 22.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.525 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 9.6 mtm -143.85 165.51 27.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 111.051 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 1.085 HG21 HD21 ' A' ' 39' ' ' LEU . 11.6 tt -138.16 136.43 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -103.79 141.19 36.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.9 mt -121.43 118.59 29.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.747 HG12 HD11 ' A' ' 81' ' ' ILE . 18.9 t -103.44 114.8 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 pp -111.14 162.48 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.794 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -132.47 121.74 23.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -137.22 112.86 9.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.75 167.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.15 -62.29 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -146.54 141.91 9.96 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 56.43 4.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.7 78.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.044 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.66 132.17 53.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.053 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.3 p -136.09 -58.4 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 0.718 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 t 57.78 160.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.69 -162.28 10.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -178.43 129.11 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 109.944 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.6 147.88 35.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.76 -143.7 6.99 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -167.71 -68.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.789 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.79 146.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.31 86.81 0.32 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.24 151.21 28.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.734 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -41.76 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.408 ' CG ' ' CD1' ' A' ' 15' ' ' TYR . 21.9 t0 179.97 -62.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.1 m 64.19 104.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.314 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.408 ' CD1' ' CG ' ' A' ' 13' ' ' ASP . 37.2 p90 -168.57 -42.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 64.61 164.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.6 mt -69.28 -107.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.8 p 40.06 66.71 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.607 HD12 ' N ' ' A' ' 20' ' ' GLU . 3.4 pp -153.23 -46.43 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.607 ' N ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -57.63 152.16 15.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER 81.66 -51.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.57 ' CB ' HD11 ' A' ' 119' ' ' LEU . 3.8 m 60.18 -178.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.795 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.5 mm-40 -88.44 129.39 35.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -127.74 141.73 51.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.1 mt -123.75 126.48 46.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.446 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 6.2 m -102.55 105.67 16.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 110.346 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.658 ' HG ' HD11 ' A' ' 74' ' ' LEU . 2.9 mm? -100.23 141.21 33.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -118.38 120.45 37.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.2 mt -119.64 119.9 31.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.562 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.0 148.0 34.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.788 HD21 HD23 ' A' ' 39' ' ' LEU . 51.1 mt -123.96 40.54 3.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 1.1 p30 -61.29 -63.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.3 -25.37 15.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.5 t -72.97 -43.91 61.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.465 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -37.68 -40.1 0.67 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -38.41 -64.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 109.972 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.87 -29.28 16.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 126.7 179.13 15.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.791 HD12 ' SD ' ' A' ' 104' ' ' MET . 18.6 mt -39.4 -70.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 114.85 32.19 1.94 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.447 ' HA ' HD13 ' A' ' 63' ' ' ILE . 3.2 m -131.53 152.31 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.902 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -112.84 138.96 48.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.03 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.902 HD23 ' C ' ' A' ' 42' ' ' SER . 2.4 mt -114.43 157.31 23.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.49 136.45 53.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.18 135.83 13.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.548 ' HB3' HD12 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -116.95 134.92 54.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -131.74 149.18 52.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.82 132.98 56.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -38.05 20.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.39 -65.59 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.227 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.1 p -75.37 -18.34 59.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.06 35.31 83.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 m -122.15 168.57 11.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.361 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -94.21 107.44 19.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.548 HD12 ' HB3' ' A' ' 46' ' ' ASN . 74.2 mt -52.75 -31.12 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.72 -134.61 9.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 12.6 mm -128.78 147.01 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.541 ' CZ ' ' CD ' ' A' ' 79' ' ' GLN . 11.1 m-85 -141.85 132.47 25.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.449 ' HA ' HD22 ' A' ' 43' ' ' LEU . 23.0 mt -50.45 145.55 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.24 -53.74 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.4 145.05 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.689 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.2 mp -88.36 135.65 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 63' ' ' ILE . 3.8 mp -90.98 106.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -57.91 -178.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.64 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 47.78 33.84 10.0 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -138.0 -160.33 8.46 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.15 -50.0 8.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -58.79 -36.54 74.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 68' ' ' ALA . 21.0 t80 -35.85 -43.53 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -52.32 -54.03 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 73' ' ' ARG . 4.0 t70 -80.43 -12.87 59.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.689 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -39.67 -27.24 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 71' ' ' ASP . 13.0 ptt180 -37.49 -30.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.658 HD11 ' HG ' ' A' ' 27' ' ' LEU . 17.2 mt -62.33 177.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -124.73 132.32 53.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -46.45 173.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 67.48 26.48 8.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -89.83 96.87 10.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.541 ' CD ' ' CZ ' ' A' ' 58' ' ' PHE . 30.2 tt0 -51.84 139.68 21.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.533 ' O ' HD21 ' A' ' 89' ' ' LEU . 4.0 mp -101.94 112.52 25.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.694 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.3 pt -94.9 7.32 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 163.08 166.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.967 HG21 HD12 ' A' ' 100' ' ' LEU . 3.4 p -152.03 121.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.54 18.6 4.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.86 -18.5 49.78 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.461 1.1 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -69.19 161.6 28.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.27 138.39 39.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.507 HD12 ' HB3' ' A' ' 80' ' ' LEU . 89.3 mt -114.28 -37.86 4.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.563 ' N ' HD23 ' A' ' 89' ' ' LEU . 4.0 mt -60.17 -37.02 78.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.74 -27.76 73.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -87.75 -141.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.74 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.06 -150.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.987 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.415 ' HA ' HD11 ' A' ' 57' ' ' ILE . 7.4 m120 -80.9 -54.71 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.467 ' CD2' ' HG2' ' A' ' 95' ' ' GLU . 13.5 p-80 -64.57 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' A' ' 94' ' ' HIS . 2.6 mt-10 -36.02 -69.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.453 ' HB1' HD22 ' A' ' 88' ' ' LEU . . . -37.15 -66.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.418 ' HE1' HD12 ' A' ' 43' ' ' LEU . 16.1 mmt -47.94 -43.37 29.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.427 ' OE2' ' NE ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -62.74 -20.91 65.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.431 ' O ' ' CB ' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -91.27 -51.77 5.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.967 HD12 HG21 ' A' ' 83' ' ' VAL . 8.6 tp -39.73 -71.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -50.05 -29.7 9.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 99' ' ' THR . 3.1 ttp85 -64.9 -59.51 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 107' ' ' GLU . 32.9 p -53.59 -34.54 58.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.791 ' SD ' HD12 ' A' ' 39' ' ' LEU . 16.2 mtt -59.17 -34.36 72.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.467 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.6 OUTLIER -96.67 -41.72 8.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.467 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -75.9 -61.07 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.617 ' HA ' HD11 ' A' ' 110' ' ' ILE . 7.7 mm-40 -71.33 -13.95 62.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.44 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.39 -5.39 60.44 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.445 1.09 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 105' ' ' SER . 4.2 m-20 -90.16 -55.96 3.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.628 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -75.98 -41.56 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -83.98 -71.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.334 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 119.34 9.71 8.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.54 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 11.2 ptp -158.69 174.41 15.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.766 ' CG2' HD21 ' A' ' 39' ' ' LEU . 7.4 tt -136.41 151.03 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.446 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 11.1 tt0 -115.61 152.73 32.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.243 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.416 ' N ' ' HG2' ' A' ' 115' ' ' GLN . 67.1 mt -131.71 123.67 28.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.621 HG12 HD11 ' A' ' 81' ' ' ILE . 6.1 t -104.98 113.72 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -109.04 164.44 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.795 HD22 ' O ' ' A' ' 23' ' ' GLU . 2.4 tm? -139.67 129.05 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.531 ' N ' HD13 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -114.15 129.58 56.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -100.36 160.03 14.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.97 -68.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 144.78 74.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.48 7.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.3 m -110.19 -58.65 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.1 168.31 27.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -98.19 126.7 43.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.777 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -121.59 144.81 48.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.18 111.79 0.32 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.82 82.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 110.042 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.7 -59.02 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.93 164.57 1.81 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.0 -61.59 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -171.14 67.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 41.61 -134.9 3.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -174.07 144.21 0.98 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 18.3 Cg_endo -74.97 -56.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.802 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 12' ' ' PRO . 19.2 t0 81.52 -65.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 t 79.04 -62.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 108.269 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.78 152.06 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -152.77 138.67 18.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.1 mt -102.73 119.84 39.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.6 -57.54 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.4 mt -88.75 143.25 27.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -112.48 118.68 35.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.238 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -107.85 154.41 21.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.557 ' HB3' HD21 ' A' ' 119' ' ' LEU . 17.6 m -86.19 167.63 14.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.696 ' O ' HD22 ' A' ' 119' ' ' LEU . 15.4 mm-40 -111.32 126.07 54.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.82 140.44 49.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.506 ' HB3' HD21 ' A' ' 27' ' ' LEU . 24.9 mt -126.69 114.63 18.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.68 ' C ' HD22 ' A' ' 27' ' ' LEU . 19.4 m -100.23 111.65 23.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.417 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.74 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -113.86 125.78 54.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.14 135.96 41.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.637 HD11 ' OD2' ' A' ' 71' ' ' ASP . 2.5 mp -126.23 122.16 24.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.709 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.93 146.79 33.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.709 HD23 ' O ' ' A' ' 30' ' ' PRO . 42.6 mt -126.81 51.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -92.18 -62.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.54 -48.36 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.433 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -76.48 -20.91 56.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' SER . . . -36.6 -39.46 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m -52.78 -57.32 10.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.75 -53.16 6.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 34' ' ' SER . . . 129.86 -174.26 19.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.944 HD12 ' CE ' ' A' ' 104' ' ' MET . 29.8 mt -40.44 -69.07 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.81 53.25 1.55 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.477 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -144.11 154.95 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.909 ' C ' HD23 ' A' ' 43' ' ' LEU . 2.3 t -115.22 133.05 56.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.909 HD23 ' C ' ' A' ' 42' ' ' SER . 2.8 mt -116.38 176.49 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -136.45 143.64 43.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.19 118.73 6.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.474 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 1.2 t-20 -96.85 132.03 43.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -121.85 153.9 37.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.469 ' HB3' HG22 ' A' ' 51' ' ' THR . 0.5 OUTLIER -116.75 145.99 43.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.04 -47.98 7.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.06 -66.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.506 HG23 ' H ' ' A' ' 53' ' ' THR . 6.5 t -67.64 -20.1 65.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.26 31.96 70.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.153 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.506 ' H ' HG23 ' A' ' 51' ' ' THR . 3.1 m -140.05 153.25 46.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.391 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.92 135.55 56.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.0 mt -77.05 -45.45 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.84 -133.32 3.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.658 HD11 ' HA ' ' A' ' 93' ' ' ASN . 17.9 mm -134.4 143.41 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 0.735 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 46' ' ' ASN . 26.9 m-85 -135.9 132.13 36.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.529 ' HA ' HD22 ' A' ' 43' ' ' LEU . 39.2 mt -59.46 146.81 9.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -99.32 -53.01 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 p -173.62 164.84 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.795 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.6 mp -108.75 127.2 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.499 HD12 ' N ' ' A' ' 63' ' ' ILE . 4.0 mp -87.11 112.47 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -65.75 165.29 12.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.608 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.495 ' N ' ' CG ' ' A' ' 64' ' ' HIS . . . 71.01 13.37 72.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.88 -161.08 11.3 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' A' ' 34' ' ' SER . . . -85.7 -38.79 17.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.477 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -65.03 -32.69 74.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -42.34 -40.61 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -56.75 -42.58 79.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.637 ' OD2' HD11 ' A' ' 29' ' ' ILE . 17.4 t0 -88.23 -13.51 40.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.795 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.67 -29.85 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 71' ' ' ASP . 9.3 ptm180 -38.14 -30.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' GLY . 33.9 mt -64.33 -175.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -134.8 128.75 33.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.419 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -43.46 167.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 70.52 22.8 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -89.7 101.28 13.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.414 ' HG3' ' CE1' ' A' ' 58' ' ' PHE . 17.3 tt0 -55.78 134.74 51.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 80' ' ' LEU . 1.6 mp -93.65 131.62 38.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.767 ' HA ' HD21 ' A' ' 89' ' ' LEU . 23.2 pt -116.64 7.95 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 162.26 159.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.735 HG21 HD12 ' A' ' 100' ' ' LEU . 1.4 p -147.1 120.34 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 84' ' ' ASN . 0.7 OUTLIER 49.35 22.73 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 83' ' ' VAL . . . 106.68 -28.1 14.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' VAL . 3.5 mm-40 -63.2 142.38 58.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.79 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.406 ' O ' ' CE ' ' A' ' 91' ' ' LYS . 0.4 OUTLIER -93.6 141.16 28.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.429 HD12 ' CB ' ' A' ' 80' ' ' LEU . 70.7 mt -114.58 -39.81 3.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.767 HD21 ' HA ' ' A' ' 81' ' ' ILE . 5.3 mt -51.05 -53.26 35.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.26 -27.43 52.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.406 ' CE ' ' O ' ' A' ' 87' ' ' THR . 6.3 mttm -88.89 -153.14 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.1 p -132.83 -150.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.658 ' HA ' HD11 ' A' ' 57' ' ' ILE . 62.7 m-20 -80.48 -51.99 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -66.0 -67.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.602 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 96' ' ' ALA . 9.0 mt-10 -39.23 -65.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -39.29 -69.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.531 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 11.0 mmt -44.56 -50.72 9.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -29.14 57.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -81.04 -51.68 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.735 HD12 HG21 ' A' ' 83' ' ' VAL . 8.1 tp -39.68 -66.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -54.13 -34.39 60.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -57.26 -51.78 67.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 107' ' ' GLU . 23.9 m -60.3 -40.49 90.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.944 ' CE ' HD12 ' A' ' 39' ' ' LEU . 13.7 mtt -54.86 -28.18 48.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.6 t -97.11 -40.16 8.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.569 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -80.34 -64.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.642 ' HA ' HD11 ' A' ' 110' ' ' ILE . 3.1 mm-40 -60.3 -13.5 13.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.423 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -93.68 -7.54 61.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -93.53 -59.54 1.99 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -74.62 -39.52 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -95.32 -72.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.423 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 112.27 23.66 5.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.442 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -162.81 172.43 15.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 0.8 . . . . 0.0 111.021 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.915 ' CG2' HD21 ' A' ' 39' ' ' LEU . 18.7 tt -142.74 137.04 27.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.519 ' CD ' HG22 ' A' ' 26' ' ' THR . 20.9 tt0 -105.66 154.97 19.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.6 mt -130.97 126.65 36.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.502 HG12 HD11 ' A' ' 81' ' ' ILE . 6.3 t -109.67 110.26 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 119' ' ' LEU . 1.0 OUTLIER -104.2 163.44 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -138.26 136.52 36.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.461 ' H ' HD22 ' A' ' 119' ' ' LEU . 6.6 ttp180 -143.76 145.55 32.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -65.95 167.18 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 t -42.62 -56.0 3.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -176.58 -123.97 0.8 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -37.08 2.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.5 165.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.3 m 40.64 78.71 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.27 128.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 109.955 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.76 168.48 0.51 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.95 116.11 0.44 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 p -163.12 117.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 p -169.04 168.13 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.09 144.15 13.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 mp -147.86 -67.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 0.799 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.07 177.12 2.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.19 -138.32 5.34 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.79 147.61 39.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -63.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 t70 73.9 89.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.2 t -127.47 11.1 6.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 108.307 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -42.16 132.15 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.04 -169.21 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -124.09 -107.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.78 168.23 27.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.962 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.755 HD12 ' N ' ' A' ' 20' ' ' GLU . 1.1 pp -135.12 -47.95 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.755 ' N ' HD12 ' A' ' 19' ' ' LEU . 15.1 pt-20 -54.86 122.42 10.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.8 p -160.75 170.51 20.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -54.1 172.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 110.01 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.47 146.78 32.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.593 ' HB2' HD22 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -138.76 144.43 39.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.42 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 23.7 mt -121.14 152.9 38.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.471 ' C ' HD22 ' A' ' 27' ' ' LEU . 94.3 m -133.39 114.3 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.471 HD22 ' C ' ' A' ' 26' ' ' THR . 1.5 mm? -107.28 150.97 26.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.13 125.53 48.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.424 HD11 ' OD2' ' A' ' 71' ' ' ASP . 4.9 mt -123.01 117.42 28.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.646 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.01 142.71 28.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 30' ' ' PRO . 15.0 mt -119.32 37.47 4.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -64.27 -63.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.29 -30.11 13.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.445 ' OG ' ' CB ' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -75.34 -19.23 59.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.88 -27.33 50.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -50.13 -58.08 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 110.036 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.25 -45.71 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 132.13 -170.53 21.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.958 HD12 ' HE1' ' A' ' 104' ' ' MET . 26.5 mt -40.17 -66.17 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.7 56.04 1.37 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.62 ' HA ' HD13 ' A' ' 63' ' ' ILE . 2.9 m -145.78 154.0 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.899 ' C ' HD23 ' A' ' 43' ' ' LEU . 1.4 p -99.86 133.64 43.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.899 HD23 ' C ' ' A' ' 42' ' ' SER . 5.1 mt -124.06 179.42 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.76 145.68 27.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.93 109.0 2.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -85.92 138.85 31.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -129.17 150.1 50.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.3 133.02 55.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -90.54 -44.89 9.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -62.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.6 p -70.19 -42.76 71.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.364 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.39 33.04 7.82 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.597 HG23 ' N ' ' A' ' 54' ' ' ASP . 3.1 t -132.27 -162.22 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 110.423 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.597 ' N ' HG23 ' A' ' 53' ' ' THR . 0.7 OUTLIER -115.69 117.82 31.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 74.6 mt -55.88 -30.74 62.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.37 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.37 -152.0 19.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.942 HG22 HD13 ' A' ' 80' ' ' LEU . 37.2 mm -111.49 164.17 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 88.0 m-85 -161.04 136.98 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.564 ' HA ' HD22 ' A' ' 43' ' ' LEU . 35.0 mt -69.25 147.51 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 42' ' ' SER . 4.7 ttpt -96.2 -54.99 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.95 161.57 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.954 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.674 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.8 mp -101.54 140.99 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.62 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.5 mp -97.07 105.35 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.415 ' ND1' ' CE1' ' A' ' 69' ' ' PHE . 5.9 m-70 -57.98 -179.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.631 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.07 35.04 4.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.33 -152.06 5.74 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.445 ' CB ' ' OG ' ' A' ' 34' ' ' SER . . . -87.55 -59.61 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' GLY . . . -52.86 -33.43 49.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.415 ' CE1' ' ND1' ' A' ' 64' ' ' HIS . 5.8 t80 -37.04 -44.19 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -55.39 -51.51 66.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' ARG . 0.6 OUTLIER -78.08 -12.66 60.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.674 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -36.72 -30.87 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.046 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASP . 8.2 ptp180 -38.97 -29.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' GLY . 13.5 mt -64.85 177.14 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -128.3 125.65 39.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 75' ' ' ARG . 1.7 ptt? -43.11 167.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.61 7.51 4.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.78 93.43 2.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -44.21 135.23 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.942 HD13 HG22 ' A' ' 57' ' ' ILE . 6.5 mp -97.1 103.44 15.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.703 ' HA ' HD21 ' A' ' 89' ' ' LEU . 35.7 pt -88.37 4.78 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 168.08 171.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.932 HG21 HD12 ' A' ' 100' ' ' LEU . 3.1 p -161.61 120.86 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 56.71 18.4 3.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.75 -16.86 54.18 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.432 ' HB2' HG13 ' A' ' 83' ' ' VAL . 17.8 mm-40 -69.18 162.33 27.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.95 135.73 50.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.67 HD12 ' HB3' ' A' ' 80' ' ' LEU . 40.8 mt -112.64 -33.75 6.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.703 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.5 mt -62.15 -26.36 68.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.53 -29.28 49.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -95.05 -161.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.01 -159.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.523 ' HA ' HD11 ' A' ' 57' ' ' ILE . 12.9 m120 -73.72 -49.71 24.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.422 ' CD2' ' H ' ' A' ' 95' ' ' GLU . 9.7 p-80 -63.92 -68.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.648 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.422 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 10.2 mt-10 -38.11 -67.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.586 ' HB1' HD22 ' A' ' 88' ' ' LEU . . . -40.07 -71.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.895 ' HE1' HD12 ' A' ' 43' ' ' LEU . 15.5 mmt -42.13 -49.91 4.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -59.79 -34.88 73.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -75.41 -37.8 60.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.932 HD12 HG21 ' A' ' 83' ' ' VAL . 7.7 tp -51.8 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 102' ' ' ARG . 1.3 ptt85 -56.23 -46.02 79.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.459 ' N ' ' CG ' ' A' ' 101' ' ' ARG . 19.3 ttt180 -52.52 -43.27 65.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 107' ' ' GLU . 3.1 m -62.76 -44.69 95.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.958 ' HE1' HD12 ' A' ' 39' ' ' LEU . 11.9 mtt -52.1 -29.57 22.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.2 OUTLIER -96.97 -57.02 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.008 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -59.08 3.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 103' ' ' SER . 19.7 mm-40 -67.81 -21.73 65.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -95.92 -8.59 57.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 105' ' ' SER . 2.1 t30 -80.09 -44.86 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.576 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -80.97 -36.2 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -87.69 -71.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 125.37 6.15 6.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.552 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 1.9 ptt? -157.97 -170.96 3.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 0.74 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.671 ' CG2' HD21 ' A' ' 39' ' ' LEU . 15.9 tt -147.43 164.5 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.49 ' CG ' ' N ' ' A' ' 116' ' ' LEU . 8.3 tt0 -129.95 159.53 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.329 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.49 ' N ' ' CG ' ' A' ' 115' ' ' GLN . 51.2 mt -133.18 122.14 23.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.575 HG12 HD11 ' A' ' 81' ' ' ILE . 3.5 t -107.08 108.68 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.1 pp -104.37 151.49 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.36 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.593 HD22 ' HB2' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -123.42 114.28 19.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.445 ' N ' HD13 ' A' ' 119' ' ' LEU . 18.2 ttp85 -99.38 105.15 17.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -88.54 -78.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.8 t -94.88 -59.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 154.06 71.94 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.779 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 77.3 p -81.86 122.45 27.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.956 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.8 p -152.56 125.72 8.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.23 163.72 1.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.997 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 t 63.55 149.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.966 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.35 141.68 3.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 p -159.88 166.67 29.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.08 167.96 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.99 -154.24 7.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.77 -69.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 66.26 120.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.11 -78.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 62.01 141.22 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.763 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -58.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 60.57 105.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.09 117.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 108.319 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -144.19 138.2 27.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.91 123.27 3.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 19' ' ' LEU . 2.6 pp -136.32 171.15 14.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER 68.33 -70.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.422 ' CB ' ' O ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 81.86 -70.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -117.65 159.18 23.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.4 m -107.79 85.81 2.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.594 ' HB3' HD21 ' A' ' 119' ' ' LEU . 9.1 m -157.27 149.18 22.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.672 ' O ' HD22 ' A' ' 119' ' ' LEU . 2.6 mt-10 -105.55 159.68 15.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -138.0 143.9 40.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.419 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 26.3 mt -122.96 140.97 52.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.504 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 29.9 m -125.15 106.78 10.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.688 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -113.5 123.03 49.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -84.08 142.9 30.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.0 mt -131.4 116.24 16.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.547 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.1 Cg_endo -75.04 130.46 13.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.979 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.484 HD11 ' CG2' ' A' ' 114' ' ' ILE . 15.6 mt -113.65 55.65 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -87.08 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -87.04 -37.9 17.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.13 -45.11 43.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.463 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -39.98 -37.67 1.06 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -51.4 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.39 -38.39 10.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.66 177.8 15.21 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.824 HD21 HG21 ' A' ' 114' ' ' ILE . 26.8 mt -40.21 -71.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.12 40.17 1.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.476 HG12 ' HA ' ' A' ' 62' ' ' ILE . 2.6 m -142.92 157.22 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.883 ' C ' HD23 ' A' ' 43' ' ' LEU . 4.0 t -113.57 138.94 49.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.883 HD23 ' C ' ' A' ' 42' ' ' SER . 3.1 mt -115.51 176.23 5.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -139.04 141.97 38.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.45 123.67 7.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -105.51 142.84 34.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.798 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -125.85 148.84 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.08 137.23 50.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.39 -52.69 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -41.15 -67.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p -68.71 -45.67 70.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.98 48.51 3.11 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.4 m -150.47 161.91 41.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 110.401 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.75 109.93 14.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.235 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.442 ' O ' ' NE2' ' A' ' 79' ' ' GLN . 68.1 mt -46.55 -41.9 15.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.74 -164.78 26.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.817 HD11 ' HA ' ' A' ' 93' ' ' ASN . 45.8 mm -98.84 133.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -125.09 128.16 48.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.518 HD12 ' HB2' ' A' ' 78' ' ' ASP . 53.4 mt -52.68 147.56 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 76' ' ' MET . 1.9 ttpt -100.29 -56.14 2.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 p -173.67 152.68 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.657 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.0 mp -98.2 132.1 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.5 mp -84.76 153.78 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -103.04 152.6 21.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.616 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.11 16.78 60.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.68 -164.79 10.65 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.75 -44.41 20.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.478 ' HB1' HG23 ' A' ' 62' ' ' ILE . . . -48.66 -46.35 40.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 69' ' ' PHE . 1.7 t80 -37.38 -44.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -53.63 -50.78 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.465 ' OD1' ' CB ' ' A' ' 27' ' ' LEU . 34.5 t70 -80.5 -13.1 59.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.657 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -43.05 -25.24 0.35 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 71' ' ' ASP . 12.7 ptp180 -41.4 -27.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.727 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.609 HD11 HD23 ' A' ' 27' ' ' LEU . 24.1 mt -69.9 174.93 4.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 76' ' ' MET . 6.7 mmt85 -122.42 128.06 50.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.442 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -39.98 161.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 111.008 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 76' ' ' MET . 1.1 m-20 75.12 39.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.518 ' HB2' HD12 ' A' ' 59' ' ' ILE . 4.9 m-20 -104.6 92.01 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 55' ' ' LEU . 12.1 tt0 -45.59 128.15 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.483 HD13 HG22 ' A' ' 57' ' ' ILE . 4.7 mp -89.97 88.01 7.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.727 HD11 HG12 ' A' ' 117' ' ' VAL . 27.1 pt -66.52 -10.7 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -177.2 -178.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.821 HG21 HD12 ' A' ' 100' ' ' LEU . 2.4 p -165.63 116.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.94 20.35 12.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.09 -9.57 65.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -87.57 139.15 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.27 149.28 35.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.645 HD21 HG11 ' A' ' 83' ' ' VAL . 57.4 mt -121.66 -44.03 2.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.663 HD11 HG22 ' A' ' 81' ' ' ILE . 2.7 mt -51.07 -41.2 59.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.1 -29.88 45.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -97.76 -165.86 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.744 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 58.9 m -110.01 -176.43 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.817 ' HA ' HD11 ' A' ' 57' ' ' ILE . 54.8 m-20 -57.68 -47.91 80.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.472 ' CD2' ' H ' ' A' ' 95' ' ' GLU . 7.3 p-80 -64.23 -73.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.611 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.472 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 13.4 mt-10 -38.04 -64.07 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.99 -69.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 17.5 mmm -47.85 -31.52 5.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -68.14 -33.58 74.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 96' ' ' ALA . 1.1 m -69.09 -46.2 68.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.821 HD12 HG21 ' A' ' 83' ' ' VAL . 10.4 tp -43.94 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -43.07 -37.01 1.82 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -58.3 9.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 107' ' ' GLU . 8.3 p -61.32 -38.29 86.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.04 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.533 ' SD ' HD12 ' A' ' 39' ' ' LEU . 37.9 mtp -57.87 -29.41 65.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.419 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 2.4 t -96.36 -32.81 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.969 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.695 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -86.7 -68.92 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.611 ' HA ' HD11 ' A' ' 110' ' ' ILE . 5.5 mm-40 -53.82 -20.62 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.463 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -94.74 -7.23 60.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 105' ' ' SER . 3.6 m-20 -91.96 -56.15 3.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 106' ' ' MET . 0.3 OUTLIER -77.64 -40.19 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -95.75 -73.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.463 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 116.57 13.38 8.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.547 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 2.1 mtp -140.47 172.31 12.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.824 HG21 HD21 ' A' ' 39' ' ' LEU . 15.6 tt -147.91 140.14 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.504 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 13.8 tt0 -109.49 148.41 31.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.406 ' N ' ' HG2' ' A' ' 115' ' ' GLN . 78.4 mt -128.45 117.66 21.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.727 HG12 HD11 ' A' ' 81' ' ' ILE . 25.5 t -102.31 109.95 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.45 ' CG2' ' HB3' ' A' ' 78' ' ' ASP . 1.8 pp -103.54 160.24 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.672 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.2 tm? -125.44 124.06 40.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.6 127.39 48.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -85.4 166.63 16.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.78 -65.13 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -163.65 132.78 2.83 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 60.95 5.56 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.4 m 45.52 82.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.997 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.01 97.9 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 110.006 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.89 137.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 109.999 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -178.19 167.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.84 121.46 0.57 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.07 125.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.88 169.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.5 148.62 20.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.476 HD13 ' N ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -175.52 127.47 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 0.0 109.297 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -97.39 63.01 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.68 156.18 13.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -91.64 150.77 41.58 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -47.52 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.458 1.767 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.46 111.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -115.74 158.32 23.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 108.285 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -125.24 133.36 52.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.92 174.17 7.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 pp -147.69 155.79 42.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.7 t 63.63 165.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 mt -96.51 174.98 6.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.12 156.36 33.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t 66.49 -175.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.561 ' HB3' HD21 ' A' ' 119' ' ' LEU . 4.6 m -56.73 171.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.694 ' O ' HD22 ' A' ' 119' ' ' LEU . 2.3 mp0 -107.34 158.38 17.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.426 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -145.73 144.58 30.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.426 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 21.7 mt -119.96 138.58 53.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.455 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 3.4 m -107.81 106.18 16.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.1 mm? -99.85 132.03 45.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -115.0 117.53 30.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -117.37 122.1 31.41 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.715 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.2 Cg_endo -75.03 145.71 31.67 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.436 1.756 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.715 HD23 ' O ' ' A' ' 30' ' ' PRO . 20.2 mt -122.81 37.49 4.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 31.0 m120 -66.74 -63.23 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -94.95 -28.52 15.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -75.04 -35.1 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -42.75 -38.05 3.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -39.02 -63.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.024 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.17 -22.49 18.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 112.82 -175.54 16.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.692 HD12 ' CE ' ' A' ' 104' ' ' MET . 17.9 mt -39.72 -67.11 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.69 47.27 1.4 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.621 HG13 ' CB ' ' A' ' 68' ' ' ALA . 3.3 m -141.72 157.51 20.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.939 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -115.83 139.77 49.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.939 HD23 ' C ' ' A' ' 42' ' ' SER . 3.1 mt -119.52 177.2 5.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' HG23 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -129.52 175.89 8.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.71 129.36 5.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.32 123.73 49.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -110.78 139.92 45.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.426 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -104.4 133.65 48.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -31.12 24.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.87 -54.04 51.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.6 p -86.64 -3.53 59.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.46 39.82 37.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.125 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.59 HG23 ' N ' ' A' ' 54' ' ' ASP . 11.2 t -140.48 -151.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.59 ' N ' HG23 ' A' ' 53' ' ' THR . 1.2 p30 -114.07 150.45 33.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.1 mt -91.49 -39.75 11.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.06 -160.93 28.25 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.905 HD11 ' HA ' ' A' ' 93' ' ' ASN . 12.4 mm -115.54 132.67 64.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -123.34 131.6 53.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.635 HD12 ' HB2' ' A' ' 78' ' ' ASP . 53.1 mt -46.55 146.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.28 -57.42 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 p -176.86 130.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.633 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.0 mp -72.21 141.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.2 mp -94.0 96.84 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.75 153.86 31.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.595 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.01 7.78 80.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.431 1.082 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.89 -147.2 6.51 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 69' ' ' PHE . . . -85.64 -62.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.621 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -43.16 -27.94 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.411 ' N ' ' C ' ' A' ' 67' ' ' ALA . 12.6 t80 -48.12 -48.56 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -44.61 -72.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 73' ' ' ARG . 0.6 OUTLIER -66.01 -11.84 50.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.633 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -44.41 -21.81 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.43 ' N ' ' C ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -36.55 -31.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.314 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 72' ' ' GLY . 28.2 mt -69.56 -171.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -138.38 150.81 46.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 2.5 ptm -49.94 160.51 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 76' ' ' MET . 4.7 m-20 79.33 50.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.635 ' HB2' HD12 ' A' ' 59' ' ' ILE . 5.1 m-20 -118.28 95.88 5.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -52.95 134.41 37.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.598 ' HB3' HD12 ' A' ' 88' ' ' LEU . 6.0 mp -98.6 93.51 6.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.898 HG22 HD11 ' A' ' 89' ' ' LEU . 16.5 pt -73.42 -4.45 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 175.37 -172.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.035 HG21 HD12 ' A' ' 100' ' ' LEU . 2.6 p -176.95 123.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.19 19.56 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.24 -9.18 69.8 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -90.16 131.84 35.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.53 155.54 39.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.598 HD12 ' HB3' ' A' ' 80' ' ' LEU . 71.0 mt -124.01 -43.79 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.898 HD11 HG22 ' A' ' 81' ' ' ILE . 2.9 mt -51.39 -43.89 62.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.4 -32.16 60.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -89.35 -158.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -114.55 -172.33 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.976 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.905 ' HA ' HD11 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -68.93 -31.39 70.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 13.6 p-80 -79.86 -67.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.413 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 8.7 mt-10 -42.34 -62.82 0.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.434 ' HB1' HD22 ' A' ' 88' ' ' LEU . . . -39.89 -72.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.724 ' SD ' HG21 ' A' ' 57' ' ' ILE . 43.3 mmm -46.36 -44.99 17.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -60.27 -32.38 71.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -73.7 -38.45 64.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.37 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.035 HD12 HG21 ' A' ' 83' ' ' VAL . 8.8 tp -51.15 -71.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.421 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 0.0 OUTLIER -47.84 -23.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 106' ' ' MET . 8.6 ttt85 -78.1 -58.88 3.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 41.8 m -58.51 -14.2 7.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.692 ' CE ' HD12 ' A' ' 39' ' ' LEU . 15.2 mtt -68.82 -56.56 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.4 OUTLIER -97.61 -33.21 11.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.028 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -68.34 -54.57 16.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 103' ' ' SER . 3.8 mm-40 -85.33 -17.96 35.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 112' ' ' GLY . . . -93.6 -8.54 60.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 105' ' ' SER . 2.1 m-20 -68.32 -47.44 67.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.677 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -87.36 -32.44 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -81.2 -63.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 108' ' ' GLY . . . 111.29 14.57 11.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.557 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -168.54 -174.2 2.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 0.0 111.006 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.673 HD13 HD11 ' A' ' 39' ' ' LEU . 9.5 tt -143.36 154.78 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 83' ' ' VAL . 11.6 tt0 -120.11 147.44 44.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.442 HD23 HG23 ' A' ' 83' ' ' VAL . 28.2 mt -126.31 118.66 25.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.691 HG12 HD11 ' A' ' 81' ' ' ILE . 20.1 t -103.21 114.83 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.6 pp -109.13 161.91 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.694 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.4 tm? -125.38 131.0 53.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -129.2 140.89 51.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -88.59 162.66 16.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -55.97 24.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -136.15 -146.28 5.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -32.47 5.31 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.5 t 55.61 102.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.1 m -132.77 125.88 31.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.989 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 t -174.06 145.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.13 148.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.01 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.37 -174.43 46.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -92.84 84.39 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.2 p -173.95 156.1 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.88 91.16 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.452 HD13 ' C ' ' A' ' 8' ' ' LEU . 1.7 tm? -170.33 -65.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 0.8 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.63 102.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.49 174.94 13.88 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -111.06 157.49 38.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -50.14 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.78 115.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.2 m -110.57 155.01 22.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.19 148.14 37.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.82 177.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 48.08 -172.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.94 160.08 41.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 mt -95.78 37.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 44.51 -161.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.9 t -79.08 129.62 34.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.826 ' HB2' HD21 ' A' ' 119' ' ' LEU . 19.2 m -67.94 176.25 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.819 ' O ' HD22 ' A' ' 119' ' ' LEU . 7.5 mt-10 -87.37 123.33 32.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.585 ' OE1' HD11 ' A' ' 81' ' ' ILE . 7.2 tt0 -131.59 144.99 51.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.538 ' HB3' HD21 ' A' ' 27' ' ' LEU . 29.0 mt -139.95 130.72 25.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.501 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 17.0 m -110.49 103.31 11.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.666 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.3 mm? -108.02 119.42 39.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -94.93 141.29 28.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.7 mt -129.34 127.54 23.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.657 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.03 145.23 31.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 104' ' ' MET . 33.4 mt -124.22 38.69 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -70.41 -63.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.24 -30.66 18.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.71 -33.44 60.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -37.57 -41.4 0.82 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -39.97 -62.12 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.3 -43.75 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 134.67 -171.46 22.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.895 HD21 ' CG2' ' A' ' 114' ' ' ILE . 19.5 mt -39.67 -66.49 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.25 40.46 1.65 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.537 HG12 ' HA ' ' A' ' 62' ' ' ILE . 3.0 m -146.7 153.13 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.959 ' C ' HD23 ' A' ' 43' ' ' LEU . 17.7 t -111.92 150.66 30.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.959 HD23 ' C ' ' A' ' 42' ' ' SER . 2.7 mt -118.44 168.19 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.478 ' HE3' ' ND2' ' A' ' 77' ' ' ASN . 1.4 pttt -127.96 142.68 51.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.16 138.24 13.94 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -123.96 129.61 51.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -120.99 147.89 44.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.63 135.05 52.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.996 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -88.16 -38.2 15.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 75.3 p -75.86 -42.4 49.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.43 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.63 47.23 4.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.437 1.086 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.3 m -143.85 166.64 24.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 0.726 . . . . 0.0 110.426 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -89.9 103.92 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.7 mt -48.26 -45.73 34.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.15 -140.09 8.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.797 HD11 ' HA ' ' A' ' 93' ' ' ASN . 16.4 mm -120.58 146.75 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.506 ' CE2' ' HB2' ' A' ' 79' ' ' GLN . 26.5 m-85 -137.44 124.16 21.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.5 ' HA ' HD22 ' A' ' 43' ' ' LEU . 13.5 mt -40.87 145.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 76' ' ' MET . 1.3 ttmm -100.15 -53.32 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 80.0 p -174.4 157.74 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.81 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.2 mp -104.59 127.58 58.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.507 HD12 ' N ' ' A' ' 63' ' ' ILE . 4.0 mp -86.98 113.19 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -64.79 166.85 8.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.57 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.02 23.04 76.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.46 -165.08 11.48 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.81 -37.22 24.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -66.46 -36.33 82.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -39.69 -40.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -53.44 -46.87 70.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' ALA . 19.0 t0 -88.76 -13.15 40.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.81 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -40.36 -27.01 0.14 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -39.43 -28.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 110.324 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' GLY . 30.4 mt -63.76 -175.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -131.88 131.8 43.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.433 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -45.49 172.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.478 ' ND2' ' HE3' ' A' ' 44' ' ' LYS . 0.1 OUTLIER 69.35 24.22 5.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.454 ' O ' HD12 ' A' ' 80' ' ' LEU . 21.5 m-20 -89.47 103.08 15.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.506 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 57.7 tt0 -54.13 135.06 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.693 ' HB3' HD12 ' A' ' 88' ' ' LEU . 6.2 mp -97.93 100.13 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.83 HG22 HD11 ' A' ' 89' ' ' LEU . 14.7 pt -86.99 7.73 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 163.58 176.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.003 HG21 ' CD1' ' A' ' 100' ' ' LEU . 2.4 p -169.89 116.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.54 11.84 8.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.78 -14.6 56.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -82.87 132.68 35.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.75 157.5 37.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.386 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.693 HD12 ' HB3' ' A' ' 80' ' ' LEU . 93.1 mt -127.66 -45.33 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.83 HD11 HG22 ' A' ' 81' ' ' ILE . 3.3 mt -51.41 -44.1 62.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.32 -27.14 65.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -91.25 -172.45 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.52 172.39 6.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.797 ' HA ' HD11 ' A' ' 57' ' ' ILE . 19.7 m120 -56.55 -29.7 62.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -80.68 -71.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -41.65 -59.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' O ' ' HB ' ' A' ' 99' ' ' THR . . . -40.0 -71.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.1 mmm -47.53 -42.0 22.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -30.45 71.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -76.4 -39.9 52.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.4 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.003 ' CD1' HG21 ' A' ' 83' ' ' VAL . 14.4 tp -49.17 -71.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -43.74 -26.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 106' ' ' MET . 0.0 OUTLIER -78.94 -56.49 4.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 17.2 m -56.89 -13.55 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.958 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.7 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 18.9 mtt -72.2 -59.13 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 109' ' ' ASN . 21.1 m -98.49 -39.12 8.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.523 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -58.95 -42.54 90.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 103' ' ' SER . 10.0 mm-40 -98.29 -21.56 16.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 104' ' ' MET . . . -89.46 -9.56 66.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 106' ' ' MET . 6.3 p30 -66.37 -43.9 84.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.635 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -96.77 -36.01 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.41 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 2.9 tpt85 -73.18 -54.67 7.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.0 20.2 19.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.543 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 15.6 ptt? -179.36 171.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.895 ' CG2' HD21 ' A' ' 39' ' ' LEU . 15.5 tt -129.97 159.01 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.501 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 13.0 tt0 -124.1 149.43 46.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.401 ' N ' ' HG2' ' A' ' 115' ' ' GLN . 72.4 mt -128.09 121.83 30.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.546 HG12 HD11 ' A' ' 81' ' ' ILE . 3.9 t -104.82 111.52 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.1 pp -104.88 152.13 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.826 HD21 ' HB2' ' A' ' 22' ' ' SER . 3.4 tm? -136.57 119.98 16.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.26 150.88 35.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -123.01 178.05 5.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 72.1 p -57.86 -64.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 149.22 -112.51 0.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -21.79 15.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.24 -73.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 66.0 m -119.63 96.19 5.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.07 170.38 20.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 0.783 . . . . 0.0 109.962 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.14 113.25 7.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.947 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.43 -169.26 30.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -162.5 172.9 14.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -164.64 168.04 18.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.0 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.38 155.51 20.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.697 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -125.43 93.25 3.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.335 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.05 146.42 33.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.5 173.07 38.72 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -150.75 92.95 3.8 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.519 0.776 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 75.93 3.55 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -134.22 114.26 12.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.91 164.12 9.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 108.327 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -169.52 167.52 9.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.39 142.0 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.22 161.6 33.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.13 153.27 51.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.1 mt -110.72 152.17 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.87 150.09 23.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.63 159.2 11.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.497 ' CB ' HD21 ' A' ' 119' ' ' LEU . 3.4 m -94.9 164.56 12.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.693 ' O ' HD22 ' A' ' 119' ' ' LEU . 7.4 mt-10 -110.16 126.5 54.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -125.3 139.24 53.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.244 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.4 mt -116.88 143.45 45.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.567 ' C ' HD22 ' A' ' 27' ' ' LEU . 38.3 m -121.88 112.09 17.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.693 ' HG ' HD11 ' A' ' 74' ' ' LEU . 1.6 mm? -107.65 139.14 42.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -107.97 110.62 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.474 ' CD1' HD12 ' A' ' 116' ' ' LEU . 11.9 mt -110.55 115.28 54.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.657 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -74.98 144.04 29.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.659 HD11 ' CG2' ' A' ' 114' ' ' ILE . 16.6 mt -127.51 56.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -92.61 -62.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -84.44 -43.09 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.85 -29.33 58.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -46.39 -42.54 13.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' GLY . 25.3 t -38.32 -48.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.66 -36.8 12.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.33 -169.35 19.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.931 HD21 HG21 ' A' ' 114' ' ' ILE . 28.3 mt -48.18 -68.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.797 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.91 42.69 2.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.585 ' HA ' HD13 ' A' ' 63' ' ' ILE . 3.0 m -141.83 154.52 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.901 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -110.21 136.18 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.901 HD23 ' C ' ' A' ' 42' ' ' SER . 3.3 mt -117.39 175.72 5.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.492 ' CD ' ' HB2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -125.92 175.85 7.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.88 110.18 0.68 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -98.66 148.6 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.4 148.89 50.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.18 119.23 38.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -87.74 -33.5 18.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -21.03 43.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 p -123.57 -41.72 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.45 16.73 26.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 m -109.55 168.13 9.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.378 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.07 116.52 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.6 mt -54.56 -40.64 68.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.69 -139.3 8.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.112 . . . . 0.0 111.051 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.568 HG22 HD13 ' A' ' 80' ' ' LEU . 16.3 mm -135.05 142.37 40.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' A' ' 58' ' ' PHE . 1.3 m-85 -133.18 145.06 50.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.51 ' HA ' HD22 ' A' ' 43' ' ' LEU . 42.3 mt -63.18 146.5 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -97.19 -56.83 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.86 142.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.666 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.8 mp -84.33 137.7 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.585 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.2 mp -91.17 156.63 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -107.66 142.61 37.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.4 15.79 42.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -129.67 -155.57 8.49 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.34 -36.19 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 0.73 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -61.89 -42.03 98.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -38.57 -44.23 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -58.08 -48.5 79.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.537 ' OD2' HD12 ' A' ' 74' ' ' LEU . 22.2 t70 -77.02 -13.15 59.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.666 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.44 -30.06 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.122 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' ASP . 7.1 ptt180 -37.46 -31.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.693 HD11 ' HG ' ' A' ' 27' ' ' LEU . 30.7 mt -66.55 -172.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.44 ' CD ' ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -139.52 130.43 26.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.466 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.5 OUTLIER -44.11 167.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 76' ' ' MET . 4.8 m-20 79.67 3.36 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.45 94.54 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -49.91 137.1 17.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.6 ' HB3' HD12 ' A' ' 88' ' ' LEU . 4.6 mp -96.78 93.25 6.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.699 ' HA ' HD21 ' A' ' 89' ' ' LEU . 16.1 pt -77.61 -1.76 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 172.74 177.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.991 HG21 HD12 ' A' ' 100' ' ' LEU . 2.1 p -169.93 119.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.05 19.46 11.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.28 -9.08 75.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -85.79 144.45 27.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.264 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.65 152.82 29.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 80' ' ' LEU . 82.9 mt -125.46 -45.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.349 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.699 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.1 mt -52.16 -48.39 64.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.56 -23.73 44.24 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -93.0 -170.21 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 0.803 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.6 m -105.56 -178.63 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.563 ' HA ' HD11 ' A' ' 57' ' ' ILE . 21.6 m120 -64.58 -28.5 69.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -84.17 -70.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.635 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 99' ' ' THR . 3.9 mt-10 -39.32 -58.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.424 ' O ' ' HB ' ' A' ' 99' ' ' THR . . . -42.6 -72.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.464 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 59.6 mmm -50.31 -33.48 20.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -70.91 -24.76 62.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -78.51 -37.14 43.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.352 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.991 HD12 HG21 ' A' ' 83' ' ' VAL . 8.1 tp -48.61 -66.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -46.99 -38.55 10.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 13.0 mmt180 -65.35 -60.89 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 26.4 m -61.82 -12.75 18.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.737 ' SD ' HD12 ' A' ' 39' ' ' LEU . 27.1 mtp -82.31 -40.31 21.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.3 OUTLIER -98.03 -37.94 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.026 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.5 -66.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 111' ' ' ARG . 16.7 mm-40 -65.27 -21.27 66.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -93.94 -9.53 59.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 105' ' ' SER . 1.5 m-20 -72.29 -38.19 68.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 0.804 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.829 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -96.11 -36.01 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.438 ' N ' HG12 ' A' ' 110' ' ' ILE . 1.1 mmp_? -78.77 -56.24 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.0 9.89 44.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.544 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 2.6 ptt? -159.78 -174.0 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.931 HG21 HD21 ' A' ' 39' ' ' LEU . 11.0 tt -145.33 151.68 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -117.43 141.08 48.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.474 HD12 ' CD1' ' A' ' 29' ' ' ILE . 61.0 mt -119.1 123.9 45.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.475 HG12 HD11 ' A' ' 81' ' ' ILE . 18.2 t -107.76 109.13 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 1.3 pp -106.82 143.31 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.2 tm? -116.9 126.88 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.58 145.33 34.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.73 161.35 20.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.0 p -48.05 -68.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 144.81 74.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 2.91 6.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.0 m -122.75 175.86 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 95.1 p -126.01 148.8 49.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 0.0 110.961 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -147.74 -58.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.98 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.4 t 62.39 160.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.76 120.44 0.52 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.4 p -178.09 156.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.92 151.35 1.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.122 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.29 149.56 5.51 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.633 HD23 ' H ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -132.96 -146.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.633 ' H ' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -123.98 176.24 6.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.62 142.87 7.06 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -178.96 112.88 0.21 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 68.45 5.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.81 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -65.63 95.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.36 120.54 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.296 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -146.08 163.27 35.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.627 ' C ' HD23 ' A' ' 17' ' ' LEU . . . -162.44 136.84 6.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.627 HD23 ' C ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -120.05 -88.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.2 t 60.96 110.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 47.76 -173.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -74.92 112.7 11.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.4 p -130.22 94.64 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.459 ' HB3' HD21 ' A' ' 119' ' ' LEU . 67.2 m -141.79 163.39 33.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.77 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -95.1 134.61 37.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.565 ' HG3' HD11 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -143.08 136.47 28.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.509 ' HB2' HD11 ' A' ' 118' ' ' ILE . 34.5 mt -113.46 152.55 29.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.713 HG23 ' OE1' ' A' ' 115' ' ' GLN . 18.7 m -124.47 112.74 17.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.715 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -116.68 116.33 27.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.94 144.79 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.4 mt -135.18 121.34 14.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.803 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.95 144.67 30.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.803 HD23 ' O ' ' A' ' 30' ' ' PRO . 26.3 mt -127.88 53.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -89.97 -61.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -87.96 -44.5 10.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.864 ' OG ' ' HB2' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -74.62 -23.26 58.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.97 -38.33 46.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -39.05 -51.29 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 0.806 . . . . 0.0 110.038 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.2 -36.06 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.76 -177.53 16.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.841 HD11 HD13 ' A' ' 114' ' ' ILE . 21.6 mt -40.54 -68.68 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.3 37.66 3.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.539 ' CG1' ' CB ' ' A' ' 68' ' ' ALA . 4.2 m -128.72 151.3 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.923 ' C ' HD23 ' A' ' 43' ' ' LEU . 1.2 t -111.02 137.14 49.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.031 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.923 HD23 ' C ' ' A' ' 42' ' ' SER . 2.6 mt -115.74 164.21 14.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.33 136.67 53.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.66 125.81 8.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -108.36 115.37 29.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 48' ' ' SER . 1.5 tmtt? -113.05 142.66 45.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.413 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -96.09 136.23 36.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -91.27 -21.73 20.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.72 -48.41 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.8 p -116.44 -31.46 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.423 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.96 19.38 15.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -177.37 5.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.783 . . . . 0.0 110.367 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.66 107.57 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.4 mt -52.82 -33.05 47.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.05 -161.92 24.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.67 HD11 ' HA ' ' A' ' 93' ' ' ASN . 29.1 mm -101.24 160.19 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 87.3 m-85 -158.8 126.05 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.489 ' HA ' HD22 ' A' ' 43' ' ' LEU . 43.6 mt -47.29 146.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.88 -49.56 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.41 150.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.948 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.698 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.7 mp -92.77 137.16 22.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 41' ' ' VAL . 2.2 mp -91.94 108.72 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.16 166.41 9.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.587 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.0 16.91 60.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.03 -155.42 9.41 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.864 ' HB2' ' OG ' ' A' ' 34' ' ' SER . . . -88.13 -45.24 10.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.539 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . -60.87 -33.94 73.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -38.27 -42.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -54.69 -49.58 70.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' ARG . 44.9 t0 -81.36 -12.8 58.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.698 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -38.51 -28.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' ASP . 4.1 ttp180 -36.5 -32.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.683 HD11 ' HG ' ' A' ' 27' ' ' LEU . 30.5 mt -64.06 -172.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.23 132.57 28.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER -38.87 159.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.98 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 76' ' ' MET . 1.8 m-20 77.42 49.08 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.694 ' O ' HD12 ' A' ' 80' ' ' LEU . 55.7 m-20 -112.47 97.02 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.457 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 44.1 tt0 -52.66 129.18 28.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 78' ' ' ASP . 7.0 mp -94.0 88.56 5.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.771 HD11 HG12 ' A' ' 117' ' ' VAL . 21.4 pt -66.5 -11.41 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 177.18 -175.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.966 HG21 HD12 ' A' ' 100' ' ' LEU . 2.6 p -164.84 120.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 103' ' ' SER . 2.9 m-20 58.74 24.59 12.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.03 -8.24 76.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.779 ' HG2' HG21 ' A' ' 99' ' ' THR . 0.7 OUTLIER -88.85 123.66 33.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.27 166.53 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.492 HD11 ' CG1' ' A' ' 83' ' ' VAL . 50.9 mt -141.55 -46.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.746 HD11 HG22 ' A' ' 81' ' ' ILE . 3.3 mt -49.55 -36.92 25.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.42 -26.43 71.77 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 88' ' ' LEU . 6.5 mttt -90.35 -170.77 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.519 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -102.17 -169.93 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.971 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.67 ' HA ' HD11 ' A' ' 57' ' ' ILE . 80.5 m-20 -72.87 -27.97 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.519 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 14.1 p-80 -84.95 -68.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.597 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.444 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 6.5 mt-10 -39.6 -63.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -39.71 -69.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 51.0 mmm -48.49 -31.2 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -70.29 -28.25 65.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.779 HG21 ' HG2' ' A' ' 86' ' ' GLU . 3.0 m -75.51 -46.59 31.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.966 HD12 HG21 ' A' ' 83' ' ' VAL . 9.7 tp -47.95 -68.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.44 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 24.1 ptt180 -50.4 -21.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 106' ' ' MET . 3.6 ttt85 -77.09 -55.38 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -61.28 -13.11 16.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.969 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.77 ' CE ' HD12 ' A' ' 39' ' ' LEU . 14.1 mtt -72.12 -52.43 16.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.11 -28.54 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.49 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -74.81 -61.72 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 111.023 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 111' ' ' ARG . 14.3 mt-10 -77.5 -37.4 51.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.5 -9.5 55.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -70.9 -50.08 38.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.732 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -97.9 -35.83 5.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 107' ' ' GLU . 1.7 mmt180 -71.83 -47.59 52.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.25 11.03 73.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.418 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -163.33 176.52 9.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.967 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.841 HD13 HD11 ' A' ' 39' ' ' LEU . 16.2 tt -138.28 139.69 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.713 ' OE1' HG23 ' A' ' 26' ' ' THR . 2.1 tt0 -106.37 149.62 26.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.507 ' CD2' HD11 ' A' ' 100' ' ' LEU . 35.5 mt -131.0 123.04 27.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.771 HG12 HD11 ' A' ' 81' ' ' ILE . 4.7 t -103.59 120.07 53.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.509 HD11 ' HB2' ' A' ' 25' ' ' LEU . 1.6 pp -113.09 156.13 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.77 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -127.23 121.21 30.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.1 ttm-85 -134.44 130.36 36.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -60.43 158.93 11.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -69.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.066 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 153.95 71.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.38 7.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.9 170.76 4.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.94 113.59 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.98 154.7 21.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.777 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -54.56 140.08 36.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.049 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.49 171.29 17.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -122.5 173.82 7.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 0.756 . . . . 0.0 110.052 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -89.62 173.03 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.82 -126.72 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -174.69 135.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -40.55 150.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.86 163.06 11.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -91.68 116.49 66.55 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -42.68 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.556 1.819 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -171.8 150.23 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 15' ' ' TYR . 18.3 m -52.61 125.05 15.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 108.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.411 ' O ' ' O ' ' A' ' 14' ' ' CYS . 2.5 t80 56.47 114.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.97 108.79 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 pp -162.04 155.56 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.54 145.2 49.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -101.93 164.14 11.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -78.61 147.2 33.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.84 151.92 30.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.585 ' HB2' HD21 ' A' ' 119' ' ' LEU . 20.0 m -65.24 -178.39 0.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.871 ' O ' HD22 ' A' ' 119' ' ' LEU . 4.6 mm-40 -98.83 132.67 44.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.486 ' HG3' HD11 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -137.21 137.79 39.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 mt -126.31 144.78 50.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.546 ' C ' HD22 ' A' ' 27' ' ' LEU . 84.9 m -125.79 109.43 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.42 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.712 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -113.76 121.25 43.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -90.7 144.73 25.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.949 HD11 ' CB ' ' A' ' 71' ' ' ASP . 43.8 mt -132.55 126.31 20.04 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.738 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -74.97 146.76 33.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.794 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.738 HD23 ' O ' ' A' ' 30' ' ' PRO . 26.0 mt -125.07 37.93 4.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 1.4 p30 -64.43 -61.99 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.8 OUTLIER -97.59 -23.18 16.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 15.4 t -75.99 -51.33 12.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.477 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -36.98 -46.93 1.26 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -39.11 -51.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.025 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.87 -41.01 9.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.93 -178.28 18.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.978 HD21 HG21 ' A' ' 114' ' ' ILE . 30.2 mt -42.56 -69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.586 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 110.29 12.56 17.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.513 ' HA ' HD13 ' A' ' 63' ' ' ILE . 2.7 m -120.93 156.81 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.946 ' C ' HD23 ' A' ' 43' ' ' LEU . 9.8 t -115.36 143.58 45.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.946 HD23 ' C ' ' A' ' 42' ' ' SER . 2.7 mt -118.5 171.0 8.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.05 142.4 50.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.28 129.99 10.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -116.11 143.31 45.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 0.762 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.44 147.46 52.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.86 128.06 56.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.025 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -85.35 -45.99 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -48.02 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 48.1 p -63.47 -42.39 98.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.15 47.44 4.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.443 1.09 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.48 HG22 ' N ' ' A' ' 54' ' ' ASP . 45.9 m -143.44 169.75 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.48 ' N ' HG22 ' A' ' 53' ' ' THR . 0.5 OUTLIER -95.79 98.52 10.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' ASP . 79.7 mt -40.44 -38.31 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.15 -149.41 19.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.539 HD11 ' HA ' ' A' ' 93' ' ' ASN . 28.6 mm -116.57 146.86 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 0.725 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 58' ' ' PHE . 6.1 m-85 -136.54 137.58 40.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.62 HD12 ' HB2' ' A' ' 78' ' ' ASP . 43.3 mt -57.64 146.62 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 76' ' ' MET . 0.6 OUTLIER -96.16 -55.36 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.89 147.84 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.638 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.5 mp -88.11 135.43 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.586 HD13 ' O ' ' A' ' 40' ' ' GLY . 3.8 mp -92.92 97.25 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.547 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -54.48 167.31 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.612 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.547 ' N ' ' CG ' ' A' ' 64' ' ' HIS . . . 66.79 19.36 69.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.52 -155.34 8.75 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' CB ' ' HB2' ' A' ' 34' ' ' SER . . . -85.88 -50.29 7.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.79 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -56.96 -33.04 66.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -38.03 -40.62 0.49 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -53.94 -50.28 66.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.949 ' CB ' HD11 ' A' ' 29' ' ' ILE . 27.9 t0 -81.85 -13.1 58.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.638 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.89 -29.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -37.11 -31.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.271 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.633 HD11 HD23 ' A' ' 27' ' ' LEU . 25.2 mt -66.96 -172.49 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -138.59 139.05 38.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.417 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -47.15 175.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 61.37 33.53 18.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.62 ' HB2' HD12 ' A' ' 59' ' ' ILE . 43.1 m-20 -99.64 92.16 5.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 37.9 tt0 -45.73 131.95 8.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.261 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.662 ' HB3' HD12 ' A' ' 88' ' ' LEU . 5.4 mp -91.79 112.69 24.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.703 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 10.9 pt -97.63 11.81 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 162.13 177.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.88 HG21 HD12 ' A' ' 100' ' ' LEU . 2.7 p -166.0 115.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.8 10.97 7.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.25 -21.82 21.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.497 ' HG2' HG21 ' A' ' 99' ' ' THR . 1.6 tt0 -80.79 134.53 35.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.788 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.91 163.95 26.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.662 HD12 ' HB3' ' A' ' 80' ' ' LEU . 96.5 mt -130.42 -45.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.521 ' N ' HD23 ' A' ' 89' ' ' LEU . 4.6 mt -46.37 -38.37 8.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.27 -37.05 93.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' LEU . 5.8 mttt -76.46 -177.18 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.534 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 1.9 m -104.75 173.69 6.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.539 ' HA ' HD11 ' A' ' 57' ' ' ILE . 25.8 m120 -49.15 -46.47 45.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 5.2 p-80 -68.1 -76.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.597 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.471 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 9.7 mt-10 -36.94 -58.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -36.16 -70.1 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 21.8 mmm -53.97 -33.4 56.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 95' ' ' GLU . 18.0 mm-40 -66.94 -40.53 87.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.497 HG21 ' HG2' ' A' ' 86' ' ' GLU . 1.3 m -59.94 -35.47 75.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.88 HD12 HG21 ' A' ' 83' ' ' VAL . 8.5 tp -56.43 -74.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -48.01 -30.31 4.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.485 ' C ' ' CD ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -63.66 -65.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -56.89 -35.44 68.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.598 ' SD ' HD12 ' A' ' 39' ' ' LEU . 29.2 mtp -57.39 -29.76 64.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.451 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 93.2 p -95.65 -41.99 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.55 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -84.44 -67.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.625 ' HA ' HD11 ' A' ' 110' ' ' ILE . 29.1 mm-40 -54.81 -23.25 17.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.427 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.07 -7.32 59.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.11 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.7 m-20 -86.3 -53.99 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.625 HD11 ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -76.03 -39.01 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -82.87 -69.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 120.05 4.66 11.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.543 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 8.1 ptp -152.62 -171.17 3.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.978 HG21 HD21 ' A' ' 39' ' ' LEU . 15.3 tt -147.18 163.61 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.479 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 10.1 tt0 -131.14 150.07 52.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 58.8 mt -127.79 126.84 42.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.501 HG12 HD11 ' A' ' 81' ' ' ILE . 3.5 t -112.33 111.01 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.4 pp -105.79 158.92 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.871 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.1 tm? -136.08 121.7 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.44 144.95 46.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.04 150.7 31.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.9 m -97.97 -40.81 8.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.961 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -69.09 -83.05 0.17 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 50.53 2.55 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.58 1.832 . . . . 0.0 111.053 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.27 80.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.943 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.1 t -125.58 116.01 21.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.52 150.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.53 165.98 34.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.94 173.54 36.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -142.23 160.85 39.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.7 -58.54 3.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.03 65.68 2.94 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.448 1.092 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.63 -62.43 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.804 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -137.96 139.16 39.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -138.87 74.96 0.38 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.12 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -120.9 153.79 57.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -37.79 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.553 1.817 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.18 -53.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.56 137.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.92 141.92 27.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.06 143.83 3.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.6 mt -107.63 -108.0 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.16 163.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.5 tp -84.5 -67.38 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.47 135.54 36.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 t -153.92 145.58 23.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.701 ' HB2' HD21 ' A' ' 119' ' ' LEU . 66.2 m -86.82 -175.76 5.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.801 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.4 mm-40 -100.75 121.19 41.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -125.85 146.06 49.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.1 mt -140.25 140.88 35.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.674 ' C ' HD22 ' A' ' 27' ' ' LEU . 88.6 m -122.9 113.38 19.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.422 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 26' ' ' THR . 1.0 OUTLIER -110.47 141.97 42.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.23 126.53 54.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mt -122.87 122.25 27.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.609 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.0 Cg_endo -75.07 143.46 28.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.609 HD23 ' O ' ' A' ' 30' ' ' PRO . 23.3 mt -120.31 39.87 3.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 1.4 p30 -62.47 -63.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 1.2 m-20 -97.95 -25.7 14.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -72.94 -42.84 63.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -36.19 -38.61 0.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.0 t -39.68 -64.95 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.61 -21.52 18.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 115.72 -172.22 14.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.68 HD21 ' CG2' ' A' ' 114' ' ' ILE . 16.5 mt -38.85 -70.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.64 29.33 2.48 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.753 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -122.71 158.01 27.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.889 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -113.07 128.89 56.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.889 HD23 ' C ' ' A' ' 42' ' ' SER . 2.5 mt -114.62 173.11 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.72 139.93 29.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.62 129.62 9.97 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -107.79 135.11 49.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -124.37 147.77 47.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.82 140.57 48.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.13 . . . . 0.0 110.032 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -42.79 12.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.75 -60.3 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.4 p -89.86 -12.14 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.361 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.04 30.09 66.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.2 m -121.13 167.02 13.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.384 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.47 117.21 25.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -57.48 -30.97 65.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.36 -150.7 20.1 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.487 1.117 . . . . 0.0 111.048 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.652 HD11 ' HA ' ' A' ' 93' ' ' ASN . 50.1 mm -116.81 147.69 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 6.1 m-85 -143.68 149.03 36.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.585 ' HA ' HD22 ' A' ' 43' ' ' LEU . 38.1 mt -72.82 147.11 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.2 -53.76 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.79 149.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.021 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.584 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.6 mp -89.79 142.6 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.9 mp -94.45 145.95 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.478 ' CD2' ' N ' ' A' ' 65' ' ' GLY . 7.1 t60 -98.27 156.58 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.649 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.478 ' N ' ' CD2' ' A' ' 64' ' ' HIS . . . 79.29 15.1 80.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -131.07 -154.79 7.99 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.83 -59.07 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.753 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -40.74 -44.48 2.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' ALA . 6.0 t80 -35.6 -46.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -54.14 -54.14 43.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.74 ' OD2' HD12 ' A' ' 74' ' ' LEU . 29.5 t70 -75.13 -12.89 60.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.584 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -36.56 -31.29 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 71' ' ' ASP . 6.6 ptp180 -38.21 -30.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 110.266 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.74 HD12 ' OD2' ' A' ' 71' ' ' ASP . 32.6 mt -64.61 -177.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -131.81 130.63 42.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.24 179.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 63.22 24.31 14.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.568 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -90.0 116.9 28.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -71.04 129.33 38.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 78' ' ' ASP . 7.4 mp -91.81 102.21 14.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.837 HD11 HG12 ' A' ' 117' ' ' VAL . 12.1 pt -82.34 3.87 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 163.69 177.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.953 HG21 HD12 ' A' ' 100' ' ' LEU . 2.5 p -161.65 122.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.1 m120 60.31 16.01 5.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.0 -14.58 55.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -82.38 135.14 35.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.88 168.62 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 91' ' ' LYS . 24.8 mt -140.95 -47.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.691 HD11 HG22 ' A' ' 81' ' ' ILE . 2.9 mt -47.15 -39.51 13.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.2 -30.41 77.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 88' ' ' LEU . 7.4 mttt -87.7 -172.87 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.4 m -100.84 -173.76 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.652 ' HA ' HD11 ' A' ' 57' ' ' ILE . 26.8 m-20 -69.86 -28.71 65.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -85.02 -66.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.629 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.4 mt-10 -41.88 -60.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -39.62 -70.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.476 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 42.1 mmm -46.44 -38.75 9.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -30.9 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -77.44 -50.12 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.361 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.953 HD12 HG21 ' A' ' 83' ' ' VAL . 8.5 tp -40.74 -73.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.43 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 36.4 ttp85 -45.95 -54.83 7.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.23 -42.15 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -67.2 -48.53 67.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.545 ' HE1' HD12 ' A' ' 39' ' ' LEU . 11.9 mtt -46.88 -27.46 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.468 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.3 OUTLIER -97.01 -36.48 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.543 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -72.92 -57.4 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 5.0 mm-40 -71.18 -40.31 71.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.479 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -67.57 -7.23 46.26 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 105' ' ' SER . 3.7 m-20 -87.91 -66.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 0.733 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.645 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -78.16 -40.27 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -84.39 -70.97 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.479 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 109.4 8.97 26.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.542 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 2.3 mtm -143.72 165.55 27.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.68 ' CG2' HD21 ' A' ' 39' ' ' LEU . 7.1 tt -135.49 143.34 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -114.62 140.15 49.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 43.6 mt -122.1 121.12 36.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.837 HG12 HD11 ' A' ' 81' ' ' ILE . 15.9 t -101.97 113.51 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.3 pp -109.34 162.07 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.801 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.2 tm? -143.11 120.53 11.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -122.18 156.24 34.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -82.62 -177.86 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.4 p -57.94 -60.71 3.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 162.52 68.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 1.97 7.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.4 m -107.79 168.59 9.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.19 146.94 28.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.555 1.159 . . . . 0.0 110.97 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -177.43 140.93 0.29 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 0.795 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 p -172.6 126.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.005 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.66 -152.25 28.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -149.01 156.71 42.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.024 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 m -161.39 120.32 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.86 131.65 8.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.133 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.92 85.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 176.29 8.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.11 -156.49 21.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -109.33 148.14 37.43 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -55.02 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.49 1.784 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.405 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 0.5 OUTLIER 50.76 93.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.1 m -91.57 102.23 14.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.273 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.405 ' CD1' ' OD1' ' A' ' 13' ' ' ASP . 10.4 p90 -175.82 158.46 2.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -135.7 72.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt 55.85 175.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.97 160.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mt -42.49 121.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -92.76 166.02 12.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.0 p -140.66 136.19 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.817 ' HB2' HD21 ' A' ' 119' ' ' LEU . 20.3 m -95.16 169.94 9.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.82 ' O ' HD22 ' A' ' 119' ' ' LEU . 8.5 mt-10 -102.98 154.39 19.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.91 142.35 44.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.7 mt -123.58 125.66 45.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.504 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 16.1 m -104.28 104.2 14.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.9 mm? -105.35 120.83 42.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -93.2 144.94 24.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.566 HD11 ' OD2' ' A' ' 71' ' ' ASP . 61.4 mt -137.56 120.36 11.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.768 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.98 147.38 33.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 30' ' ' PRO . 40.0 mt -128.48 49.79 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -82.36 -62.34 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -87.19 -37.72 17.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.92 -28.87 60.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.03 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -43.36 -40.5 4.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' GLY . 7.7 t -38.79 -58.35 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.05 -38.39 11.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.33 -175.15 17.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.102 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.734 HD21 ' CG2' ' A' ' 114' ' ' ILE . 26.8 mt -41.19 -69.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.84 53.52 1.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.446 1.092 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.466 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -142.31 155.75 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.932 ' C ' HD23 ' A' ' 43' ' ' LEU . 2.5 t -115.69 135.58 53.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.932 HD23 ' C ' ' A' ' 42' ' ' SER . 2.6 mt -117.01 179.09 4.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -139.1 140.04 37.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.79 127.17 9.16 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -113.67 134.67 54.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -118.88 147.6 43.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.52 136.19 53.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.75 -39.55 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -45.93 -66.28 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.2 p -70.06 -24.86 63.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.01 22.45 63.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.663 HG23 ' N ' ' A' ' 54' ' ' ASP . 1.6 t -126.15 -162.45 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 110.44 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.663 ' N ' HG23 ' A' ' 53' ' ' THR . 0.4 OUTLIER -111.88 124.67 52.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.8 mt -54.13 -46.87 72.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.51 -140.44 9.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.603 HD11 ' HA ' ' A' ' 93' ' ' ASN . 19.7 mm -128.06 145.43 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.472 ' CD1' ' N ' ' A' ' 58' ' ' PHE . 5.1 m-85 -136.72 140.0 42.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.488 ' HA ' HD22 ' A' ' 43' ' ' LEU . 35.1 mt -65.57 146.54 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.04 -53.87 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.15 155.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.599 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.8 mp -94.4 138.85 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.8 mp -93.56 137.01 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -89.35 151.22 22.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.553 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.68 15.86 62.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.5 -161.25 9.9 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.35 -46.25 14.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.466 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -50.13 -44.19 52.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' ALA . 4.3 t80 -36.34 -44.12 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -56.29 -53.59 55.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.672 ' OD2' HD12 ' A' ' 74' ' ' LEU . 26.2 t0 -75.09 -13.13 60.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.599 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.06 -31.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' ASP . 5.4 ptt180 -38.75 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.672 HD12 ' OD2' ' A' ' 71' ' ' ASP . 27.4 mt -63.12 179.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.63 120.2 24.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -42.86 166.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 111.043 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 76' ' ' MET . 4.8 m-20 82.01 -1.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.58 123.96 20.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -74.39 132.55 42.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.637 ' HB3' HD12 ' A' ' 88' ' ' LEU . 7.1 mp -92.82 123.35 36.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.754 ' HA ' HD21 ' A' ' 89' ' ' LEU . 18.6 pt -113.39 7.62 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 165.52 171.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.906 HG21 HD12 ' A' ' 100' ' ' LEU . 4.0 p -164.28 119.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.18 26.56 15.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.46 -2.19 82.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.428 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 17.5 mm-40 -84.09 162.55 20.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.55 139.57 41.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 80' ' ' LEU . 68.0 mt -115.93 -38.37 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.754 HD21 ' HA ' ' A' ' 81' ' ' ILE . 4.7 mt -55.87 -38.0 69.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.34 -23.58 74.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -95.85 -173.27 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -102.19 -178.56 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.138 . . . . 0.0 110.004 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.603 ' HA ' HD11 ' A' ' 57' ' ' ILE . 25.7 m120 -60.16 -38.49 83.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 9.0 p-80 -76.35 -73.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.649 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.468 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 11.3 mt-10 -37.15 -58.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -39.85 -72.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 96' ' ' ALA . 37.1 mmm -36.62 -50.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 1.1 mm-40 -53.43 -52.9 57.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -50.04 -23.01 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.906 HD12 HG21 ' A' ' 83' ' ' VAL . 11.9 tp -68.89 -73.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -51.63 -21.32 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 5.9 mmt180 -69.64 -67.26 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.5 m -49.16 -29.37 5.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.711 ' CE ' HD12 ' A' ' 39' ' ' LEU . 13.1 mtt -60.28 -44.2 95.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.446 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.4 OUTLIER -92.71 -16.09 25.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.03 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -58.46 2.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.567 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 5.4 mm-40 -74.48 -29.39 61.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.47 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -68.78 -6.98 53.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 105' ' ' SER . 10.4 m-20 -89.15 -67.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.596 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -75.98 -39.96 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.567 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.9 OUTLIER -86.51 -70.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.47 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 109.42 21.15 7.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.525 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 11.3 ptm -164.29 174.96 10.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.734 ' CG2' HD21 ' A' ' 39' ' ' LEU . 14.9 tt -137.96 158.02 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.504 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 9.1 tt0 -124.15 152.19 43.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.0 mt -126.8 130.66 50.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.531 HG12 HD11 ' A' ' 81' ' ' ILE . 3.6 t -114.9 112.36 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -111.29 156.69 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.82 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -122.98 129.34 51.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.5 ' N ' HD13 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -128.04 106.96 9.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -61.0 172.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.22 -58.26 8.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -130.1 135.54 8.41 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 65.53 6.09 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.53 131.91 43.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.5 m 60.69 -92.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -127.59 169.78 13.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 110.034 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -158.12 163.97 37.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.17 -171.28 23.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.81 165.62 24.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 0.753 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 m -164.18 135.15 4.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.12 94.21 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.66 -63.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -70.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.49 -104.76 0.31 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 45.59 89.39 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 58.0 4.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 47.71 80.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.8 p -111.81 -40.94 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 108.302 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.587 ' CD2' HD23 ' A' ' 17' ' ' LEU . 11.2 t80 53.01 171.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.49 83.41 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.587 HD23 ' CD2' ' A' ' 15' ' ' TYR . 1.8 pp -140.37 -175.49 4.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 178.59 134.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 mp -105.08 151.4 24.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 156.42 18.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.6 p -104.34 84.34 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.484 ' CB ' HD21 ' A' ' 119' ' ' LEU . 41.3 m -112.33 163.21 14.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.012 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.774 ' O ' HD22 ' A' ' 119' ' ' LEU . 4.0 mt-10 -101.23 129.4 47.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -123.24 138.78 54.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.486 ' HB2' HD11 ' A' ' 118' ' ' ILE . 24.8 mt -123.2 114.98 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.727 ' C ' HD22 ' A' ' 27' ' ' LEU . 91.6 m -99.26 112.07 24.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.727 HD22 ' C ' ' A' ' 26' ' ' THR . 0.9 OUTLIER -113.03 137.96 50.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -114.02 124.7 52.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.4 mt -115.61 127.51 26.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.596 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.1 Cg_endo -74.99 143.85 29.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 30' ' ' PRO . 14.3 mt -119.02 35.92 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -65.71 -62.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -96.52 -28.28 14.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -75.78 -30.4 59.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.14 -35.11 6.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.9 p -39.22 -69.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.037 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.34 -12.99 26.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.86 -174.64 18.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.691 HD12 ' CE ' ' A' ' 104' ' ' MET . 20.4 mt -40.46 -66.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 0.78 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.06 34.1 2.23 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.605 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -123.53 158.88 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.776 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.985 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -123.38 137.35 54.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.985 HD23 ' C ' ' A' ' 42' ' ' SER . 2.2 mt -118.79 160.22 22.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.42 136.41 50.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.85 134.35 13.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -116.7 118.92 33.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.99 149.92 34.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.57 140.38 49.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.988 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.21 -26.76 18.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -45.21 84.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.2 p -108.31 -9.5 15.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.04 28.73 58.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 54' ' ' ASP . 54.2 m -112.85 169.48 8.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.382 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' N ' HG22 ' A' ' 53' ' ' THR . 25.0 m-20 -96.36 111.6 23.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.93 -39.44 81.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.25 -149.22 20.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.587 HD11 ' HA ' ' A' ' 93' ' ' ASN . 50.1 mm -106.69 153.41 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 37.0 m-85 -146.01 142.99 29.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.59 ' HA ' HD22 ' A' ' 43' ' ' LEU . 27.1 mt -58.86 146.24 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 42' ' ' SER . 13.2 tttt -102.54 -50.6 3.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.441 ' HA ' ' CG ' ' A' ' 76' ' ' MET . 54.8 p 176.65 127.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.791 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.1 mp -70.03 132.55 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.1 mp -83.06 99.91 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -61.85 170.16 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.606 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.585 ' N ' ' CG ' ' A' ' 64' ' ' HIS . . . 54.85 24.62 34.4 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.25 -144.91 5.94 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.88 -62.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.605 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -49.87 -34.12 19.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' ALA . 10.9 t80 -34.79 -39.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -54.7 -72.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 73' ' ' ARG . 10.1 t70 -67.07 -12.56 60.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.791 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -41.55 -25.31 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.436 ' N ' ' C ' ' A' ' 71' ' ' ASP . 8.0 ptm180 -38.45 -28.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 72' ' ' GLY . 25.9 mt -58.17 173.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 76' ' ' MET . 6.7 mtt180 -118.42 129.16 55.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.441 ' CG ' ' HA ' ' A' ' 61' ' ' SER . 2.6 mtm -45.5 174.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 11.8 m120 68.28 35.5 3.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.644 ' OD2' HG22 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -98.56 122.85 42.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -81.66 114.08 20.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.625 ' HB3' HD12 ' A' ' 88' ' ' LEU . 5.9 mp -71.02 106.4 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.654 ' HA ' HD21 ' A' ' 89' ' ' LEU . 21.5 pt -90.96 3.5 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 166.88 168.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.029 HG21 HD12 ' A' ' 100' ' ' LEU . 3.5 p -160.92 125.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 59.39 17.41 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.63 -13.25 64.23 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.427 1.079 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.493 ' OE1' HG23 ' A' ' 99' ' ' THR . 25.1 tt0 -84.5 135.22 34.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.06 163.07 26.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.625 HD12 ' HB3' ' A' ' 80' ' ' LEU . 83.5 mt -133.15 -46.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.654 HD21 ' HA ' ' A' ' 81' ' ' ILE . 2.9 mt -48.19 -40.79 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.71 -28.3 72.37 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' LEU . 9.1 mttm -90.75 -173.87 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.58 174.37 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.023 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.587 ' HA ' HD11 ' A' ' 57' ' ' ILE . 12.4 m120 -53.94 -40.41 66.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -71.14 -72.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.595 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -40.17 -60.26 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -40.45 -72.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.0 mmm -43.81 -49.46 8.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -56.75 -34.48 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.493 HG23 ' OE1' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -74.7 -27.99 60.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.029 HD12 HG21 ' A' ' 83' ' ' VAL . 10.2 tp -65.27 -71.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -53.75 -19.09 3.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 106' ' ' MET . 0.0 OUTLIER -77.75 -53.59 7.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.453 ' CA ' ' HB2' ' A' ' 107' ' ' GLU . 27.5 m -63.3 -12.17 27.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.691 ' CE ' HD12 ' A' ' 39' ' ' LEU . 22.3 mtt -71.67 -53.07 14.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.456 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.5 OUTLIER -97.42 -29.93 13.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.517 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -75.69 -58.23 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.453 ' HB2' ' CA ' ' A' ' 103' ' ' SER . 16.1 mt-10 -80.47 -20.22 44.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.11 -8.71 64.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.4 m-20 -69.56 -51.89 31.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 0.737 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.632 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -82.05 -34.67 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -79.0 -66.82 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.38 11.93 10.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.12 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.518 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 1.5 ptm -167.1 178.74 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.651 ' CG2' HD21 ' A' ' 39' ' ' LEU . 12.9 tt -138.36 150.64 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.593 ' OE1' HG22 ' A' ' 26' ' ' THR . 19.5 tt0 -116.97 151.79 35.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 81.2 mt -131.23 132.87 44.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.606 HG12 HD11 ' A' ' 81' ' ' ILE . 10.4 t -112.35 108.47 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.644 HG22 ' OD2' ' A' ' 78' ' ' ASP . 1.6 pp -103.74 148.71 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.774 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.2 tm? -122.47 134.25 54.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.616 ' N ' HD13 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -130.33 163.83 25.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -142.0 -56.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.8 t -97.22 -34.32 11.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.44 -108.74 3.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 70.24 5.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.67 95.17 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.7 m -126.48 81.67 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.133 . . . . 0.0 111.01 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 t -153.18 -59.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.32 170.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.04 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.74 -163.22 0.07 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.77 166.66 7.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 t 62.0 144.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.973 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.33 -118.43 0.93 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.451 1.094 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -171.62 127.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -112.72 177.12 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.39 -158.31 10.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -133.61 154.55 80.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 0.786 . . . . 0.0 110.249 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.67 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.17 148.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.9 p -135.01 164.45 27.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 108.253 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.16 45.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.65 138.9 58.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -142.52 175.29 9.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.36 125.73 41.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.42 158.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.8 172.06 14.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.4 p -164.96 172.76 12.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.618 ' HB3' HD21 ' A' ' 119' ' ' LEU . 58.5 m -49.67 174.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.036 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.698 ' O ' HD22 ' A' ' 119' ' ' LEU . 5.1 mm-40 -122.28 120.48 34.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -113.75 142.63 45.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.241 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.515 ' HB3' HD21 ' A' ' 27' ' ' LEU . 53.2 mt -132.55 129.94 39.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.588 ' C ' HD22 ' A' ' 27' ' ' LEU . 61.3 m -114.23 108.31 16.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.735 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -115.91 125.65 52.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -89.86 147.04 24.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.263 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.647 HD11 ' OD2' ' A' ' 71' ' ' ASP . 68.9 mt -139.29 114.61 8.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.554 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -75.02 133.0 16.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' A' ' 39' ' ' LEU . 16.6 mt -111.89 52.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -78.19 -63.18 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.97 -31.53 14.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -37.68 60.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.481 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -49.18 -37.61 24.18 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -38.76 -67.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 0.72 . . . . 0.0 109.964 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.99 -33.78 19.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 136.85 175.8 14.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.805 HD12 ' SD ' ' A' ' 104' ' ' MET . 20.2 mt -40.31 -70.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.5 47.2 0.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.62 ' HA ' HD13 ' A' ' 63' ' ' ILE . 4.4 m -136.68 149.07 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.519 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -102.85 123.05 45.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.624 HD22 ' HA ' ' A' ' 59' ' ' ILE . 13.8 mt -111.59 179.28 4.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -150.99 136.22 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.65 140.71 15.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -130.88 137.96 49.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.322 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.56 152.65 51.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.39 134.41 54.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.22 -47.43 7.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.62 -68.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.4 p -62.76 -42.66 99.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.24 37.61 5.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.41 167.72 21.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 110.413 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -93.84 109.48 21.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' ASP . 91.7 mt -40.22 -44.03 1.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.536 ' O ' ' CZ ' ' A' ' 58' ' ' PHE . . . 129.08 149.86 6.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' A' ' 93' ' ' ASN . 51.9 mm -55.55 148.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 57' ' ' ILE . 18.9 m-85 -144.01 126.49 15.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.666 HD12 ' HB2' ' A' ' 78' ' ' ASP . 50.1 mt -61.59 147.02 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.1 tttp -95.27 -55.83 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -175.31 159.73 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.619 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.7 mp -100.02 139.39 21.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.62 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.4 mp -93.38 111.95 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -65.13 -177.42 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.601 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.24 29.49 3.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.8 -151.74 5.93 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.05 -63.62 1.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 0.756 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.565 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . -44.88 -31.96 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -42.5 -40.59 2.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -57.33 -42.63 82.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.647 ' OD2' HD11 ' A' ' 29' ' ' ILE . 5.5 t0 -88.12 -12.42 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.619 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -36.51 -30.9 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -38.98 -29.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' GLY . 30.6 mt -64.47 -178.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -133.37 126.59 31.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.409 ' O ' ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -42.0 165.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 76' ' ' MET . 2.5 m120 75.71 17.02 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.666 ' HB2' HD12 ' A' ' 59' ' ' ILE . 5.0 m-20 -79.41 115.79 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -70.63 115.76 10.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 78' ' ' ASP . 7.8 mp -82.32 92.3 6.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.801 HD11 HG12 ' A' ' 117' ' ' VAL . 5.4 pt -71.4 -41.28 73.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.681 ' HB1' ' O ' ' A' ' 86' ' ' GLU . . . -144.14 174.15 11.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.134 HG21 HD12 ' A' ' 100' ' ' LEU . 1.9 p -159.47 122.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.56 16.12 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.13 -18.25 42.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.681 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 53.3 mm-40 -65.73 159.33 25.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -106.98 127.77 53.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.348 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 80' ' ' LEU . 35.6 mt -103.62 -19.75 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.595 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.9 mt -55.34 -67.68 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.85 -23.63 5.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -91.34 -176.3 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -116.57 -155.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.974 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.719 ' HA ' HD11 ' A' ' 57' ' ' ILE . 6.6 m120 -71.12 -60.58 2.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -53.89 -69.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.606 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.6 mt-10 -38.15 -68.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -39.12 -68.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.6 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 11.6 mmt -47.75 -42.99 26.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.494 ' OE2' ' CZ ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -61.09 -30.85 70.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -77.41 -43.19 33.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.134 HD12 HG21 ' A' ' 83' ' ' VAL . 8.1 tp -52.77 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.86 -27.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.494 ' CZ ' ' OE2' ' A' ' 98' ' ' GLU . 2.0 ttp180 -67.44 -61.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 107' ' ' GLU . 17.2 m -52.92 -33.0 48.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.805 ' SD ' HD12 ' A' ' 39' ' ' LEU . 16.8 mtt -57.52 -38.01 73.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.474 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 2.4 m -97.0 -26.6 14.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.63 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -87.18 -68.52 0.74 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.634 ' HA ' HD11 ' A' ' 110' ' ' ILE . 23.5 mm-40 -58.66 -23.05 58.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.321 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.475 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -89.89 -7.08 68.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.163 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.9 m-20 -89.84 -55.96 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.68 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -78.87 -40.86 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.6 OUTLIER -94.04 -73.85 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.475 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 117.64 13.44 7.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.554 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 2.7 mtp -142.85 166.85 23.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.474 ' CG2' HD21 ' A' ' 39' ' ' LEU . 18.2 tt -146.06 138.1 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.426 ' CD ' HG23 ' A' ' 26' ' ' THR . 15.4 tt0 -108.72 145.83 34.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.2 mt -123.76 121.1 34.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.801 HG12 HD11 ' A' ' 81' ' ' ILE . 45.6 t -104.65 111.82 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 109.316 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.417 HD11 HD12 ' A' ' 25' ' ' LEU . 1.5 pp -105.74 154.43 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.698 HD22 ' O ' ' A' ' 23' ' ' GLU . 2.9 tm? -137.14 118.97 15.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -122.69 129.6 52.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.63 164.94 16.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 m -59.51 -63.02 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 144.67 -141.04 9.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 75.08 3.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.06 -55.55 2.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.8 p -105.42 121.39 43.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.55 160.78 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.65 131.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.977 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.87 101.04 1.38 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 m -148.14 78.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -141.63 152.67 44.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.968 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.74 127.54 2.98 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.453 1.095 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -158.98 -64.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -120.25 125.92 49.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.234 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.31 -128.63 1.58 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -133.68 126.28 18.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -43.28 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.797 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -177.36 99.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 15' ' ' TYR . 16.2 p -49.81 -41.78 45.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.436 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 20.9 t80 54.84 166.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.84 90.69 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt -57.94 100.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.59 142.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.04 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.22 139.15 31.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -157.71 110.12 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.8 m 67.26 114.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.1 m -119.52 168.27 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.948 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.724 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.5 mt-10 -105.79 156.78 17.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -145.66 143.93 30.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.42 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 53.3 mt -128.35 122.57 31.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.58 HG23 HG22 ' A' ' 117' ' ' VAL . 6.5 m -107.92 111.23 23.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.724 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -113.45 126.58 55.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 4.8 mp0 -101.02 145.14 29.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.746 HD11 ' HB3' ' A' ' 71' ' ' ASP . 54.0 mt -133.94 130.83 20.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.674 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.2 Cg_endo -74.99 148.53 35.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.674 HD23 ' O ' ' A' ' 30' ' ' PRO . 29.6 mt -123.57 35.38 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.438 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 1.3 p30 -60.18 -63.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -97.01 -27.38 14.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 t -73.32 -32.55 64.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.39 -34.52 6.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.24 -58.67 2.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.12 -45.87 7.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.35 -152.54 24.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.749 HD21 ' CG2' ' A' ' 114' ' ' ILE . 19.2 mt -58.69 -66.42 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 0.763 . . . . 0.0 109.374 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.79 29.73 4.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.796 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.3 m -126.76 153.21 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.751 . . . . 0.0 109.357 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.518 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -103.08 128.03 50.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.742 HD22 ' HA ' ' A' ' 59' ' ' ILE . 13.2 mt -114.91 -179.93 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.87 143.84 22.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.77 131.64 10.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.612 ' HB3' HD12 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -114.58 151.61 33.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -136.22 150.02 48.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.07 123.94 43.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -91.11 -28.32 17.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -52.02 67.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 p -86.89 -22.68 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.76 19.11 76.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.0 m -118.16 163.46 16.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.3 108.21 20.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.612 HD12 ' HB3' ' A' ' 46' ' ' ASN . 91.3 mt -41.53 -47.62 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.426 ' O ' HD13 ' A' ' 57' ' ' ILE . . . 135.06 -142.15 13.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.702 HG22 HD13 ' A' ' 80' ' ' LEU . 34.6 mm -117.49 151.19 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 30.9 m-85 -150.74 143.15 24.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.742 ' HA ' HD22 ' A' ' 43' ' ' LEU . 23.4 mt -67.17 149.55 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 76' ' ' MET . 12.6 tttt -105.21 -47.17 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.2 p 179.64 154.43 0.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.539 ' HA ' HG12 ' A' ' 41' ' ' VAL . 3.5 mp -96.92 139.16 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.0 mp -90.41 103.33 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -58.15 -173.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.621 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 41.32 35.98 1.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -141.79 -150.23 5.33 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.8 -64.09 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 0.809 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.796 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -47.4 -32.92 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 68' ' ' ALA . 2.6 t80 -36.06 -39.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -53.67 -71.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.746 ' HB3' HD11 ' A' ' 29' ' ' ILE . 8.4 t0 -66.13 -11.55 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.521 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -38.56 -27.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -36.71 -30.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.774 . . . . 0.0 110.349 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.9 mt -59.27 -174.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.46 127.96 21.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.523 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -43.29 167.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.96 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 76' ' ' MET . 8.1 m-20 83.7 -5.25 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.437 ' OD2' HD22 ' A' ' 74' ' ' LEU . 8.2 m-20 -70.95 94.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -50.97 139.45 17.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.702 HD13 HG22 ' A' ' 57' ' ' ILE . 2.1 mp -93.23 104.94 17.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.628 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 30.6 pt -91.81 8.09 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 168.41 171.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.899 HG21 HD12 ' A' ' 100' ' ' LEU . 2.8 p -163.0 125.13 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.453 ' ND2' ' HB3' ' A' ' 107' ' ' GLU . 0.1 OUTLIER 55.28 26.14 8.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.14 -10.19 74.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 83' ' ' VAL . 35.0 tt0 -86.27 140.77 29.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.13 157.93 36.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.422 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.562 HD12 ' HB3' ' A' ' 80' ' ' LEU . 34.9 mt -128.66 -49.88 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.613 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.8 mt -47.92 -47.57 32.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.95 -32.27 56.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -84.46 -167.61 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 0.808 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.08 -168.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.481 ' HA ' HD11 ' A' ' 57' ' ' ILE . 33.3 m120 -72.04 -30.36 65.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -82.07 -69.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.573 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' THR . 4.2 mt-10 -39.68 -59.81 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -41.59 -72.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.643 ' CE ' HG23 ' A' ' 57' ' ' ILE . 15.2 mmt -49.09 -33.76 12.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -28.0 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -75.63 -41.75 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.386 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.899 HD12 HG21 ' A' ' 83' ' ' VAL . 8.9 tp -43.06 -72.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -48.7 -36.97 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -55.97 -54.86 39.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 107' ' ' GLU . 1.9 m -65.59 -38.73 90.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.632 ' SD ' HD12 ' A' ' 39' ' ' LEU . 20.3 mtp -60.45 -25.47 66.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.45 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.5 OUTLIER -96.83 -32.73 11.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.647 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -92.65 -68.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.684 ' HA ' HD11 ' A' ' 110' ' ' ILE . 3.2 mm-40 -54.3 -18.78 4.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.447 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.46 -5.79 60.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 105' ' ' SER . 4.0 m-20 -93.15 -56.63 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.684 HD11 ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -74.98 -40.93 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -87.76 -71.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 121.15 9.72 7.16 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.453 1.096 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.433 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 5.4 ptm -156.02 173.12 17.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 0.815 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.749 ' CG2' HD21 ' A' ' 39' ' ' LEU . 3.9 tt -133.52 148.44 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.567 ' OE1' HG21 ' A' ' 26' ' ' THR . 0.0 OUTLIER -111.34 147.18 35.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.5 mt -131.13 129.41 41.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.592 HG12 HD11 ' A' ' 81' ' ' ILE . 3.7 t -113.08 118.41 57.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -111.51 156.71 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.724 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.4 tm? -123.55 124.5 42.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.5 ttp85 -116.34 118.6 33.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.84 164.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.3 -49.51 64.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.95 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -140.16 -159.15 7.85 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 80.65 2.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.803 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.6 m -101.25 158.54 15.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.83 154.28 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.556 1.16 . . . . 0.0 110.958 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -177.98 150.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.91 169.16 5.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.08 179.29 48.05 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.8 164.04 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.79 152.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.42 119.47 1.75 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.78 106.5 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 0.797 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.05 167.74 15.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -176.19 167.78 39.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -162.22 64.65 1.68 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 62.43 5.88 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.554 1.818 . . . . 0.0 110.996 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -109.95 100.09 9.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.9 p -175.03 165.67 3.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.259 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -121.51 124.79 45.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.78 151.71 6.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 pp -132.78 165.08 25.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.1 t -148.54 122.13 9.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.75 168.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -52.38 127.25 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.8 t -172.96 157.62 3.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.776 ' HB2' HD21 ' A' ' 119' ' ' LEU . 49.3 m -50.29 175.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.055 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.805 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.5 mt-10 -101.94 156.74 17.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.1 143.81 48.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.6 mt -126.01 147.97 49.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.569 ' C ' HD22 ' A' ' 27' ' ' LEU . 86.8 m -133.08 112.68 11.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.729 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -114.68 124.74 52.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -88.02 142.73 27.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.652 HG21 ' CD2' ' A' ' 39' ' ' LEU . 55.8 mt -132.76 127.21 20.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.648 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.01 138.15 22.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 30' ' ' PRO . 10.7 mt -118.31 36.36 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 1.3 p30 -62.22 -63.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -97.12 -29.03 13.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.6 OUTLIER -72.46 -36.09 68.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.427 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -45.06 -34.63 4.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m -39.83 -70.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.78 -12.14 27.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' SER . . . 112.81 -173.47 15.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.652 ' CD2' HG21 ' A' ' 29' ' ' ILE . 16.2 mt -40.45 -64.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.489 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 107.44 38.77 2.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.566 ' HA ' HD13 ' A' ' 63' ' ' ILE . 3.9 m -138.3 150.02 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.935 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -100.92 146.58 27.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.935 HD23 ' C ' ' A' ' 42' ' ' SER . 3.5 mt -121.03 168.75 11.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.23 152.37 44.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.4 131.22 9.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -113.04 132.64 55.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 0.797 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.79 148.24 43.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.58 137.72 54.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -90.93 -36.94 13.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -53.36 -56.33 17.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.7 p -77.24 -32.53 55.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.21 44.6 17.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.576 1.172 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.7 t -149.12 -167.21 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 110.398 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.41 109.29 21.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.5 mt -47.26 -47.8 24.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.07 -159.82 28.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.458 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 29.8 mm -114.05 143.03 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.756 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 58' ' ' PHE . 2.8 m-85 -138.46 132.47 31.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.537 HD12 ' HB2' ' A' ' 78' ' ' ASP . 70.6 mt -50.56 146.76 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 76' ' ' MET . 1.2 tttt -100.06 -51.11 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.26 154.71 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.726 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.7 mp -99.49 138.97 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.566 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.7 mp -94.42 110.1 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -63.49 176.97 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 109.585 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 52.66 27.01 26.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.57 -155.53 7.51 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.34 -58.48 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -49.56 -35.78 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -38.27 -41.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -52.96 -50.53 63.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.569 ' CB ' HD11 ' A' ' 29' ' ' ILE . 25.9 t0 -84.27 -13.24 53.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.726 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -36.81 -30.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' ASP . 12.5 ptm180 -38.13 -30.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' GLY . 24.5 mt -63.51 -178.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 76' ' ' MET . 2.8 mmm180 -131.52 130.1 41.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -42.93 167.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 76' ' ' MET . 4.4 m-20 82.85 0.21 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.581 ' O ' HD12 ' A' ' 80' ' ' LEU . 40.6 m-20 -65.56 101.03 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.54 130.7 47.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.604 ' HB3' HD12 ' A' ' 88' ' ' LEU . 7.1 mp -91.53 106.34 18.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.648 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 18.1 pt -89.61 2.75 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 166.24 -173.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.689 HG21 HD12 ' A' ' 100' ' ' LEU . 2.6 p -169.3 121.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 103' ' ' SER . 2.1 m-20 56.95 23.11 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.17 -11.93 65.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.474 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 45.6 tt0 -81.32 142.3 33.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.1 160.93 23.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.433 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.604 HD12 ' HB3' ' A' ' 80' ' ' LEU . 96.4 mt -134.47 -46.69 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.611 ' N ' HD23 ' A' ' 89' ' ' LEU . 3.0 mt -48.71 -38.3 21.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.58 -33.01 85.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -79.25 -175.03 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 75.0 m -102.89 172.05 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.426 ' HA ' HD11 ' A' ' 57' ' ' ILE . 26.4 m120 -52.57 -32.48 41.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 95' ' ' GLU . 86.4 t60 -81.04 -75.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.623 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' GLU . 10.2 mt-10 -37.88 -52.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.95 -67.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 40.6 mmm -55.9 -27.4 51.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 95' ' ' GLU . 7.7 mm-40 -73.1 -39.74 65.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -59.36 -30.26 68.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.689 HD12 HG21 ' A' ' 83' ' ' VAL . 11.1 tp -60.58 -71.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -44.15 -32.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 8.5 mmt-85 -65.1 -58.21 6.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.414 ' HB3' ' ND2' ' A' ' 84' ' ' ASN . 1.3 m -54.07 -31.85 52.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.537 ' CG ' HD12 ' A' ' 114' ' ' ILE . 23.8 mtt -63.48 -51.54 65.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.449 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 1.7 m -73.21 -20.59 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -59.35 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 9.9 mm-40 -73.48 -40.28 64.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.418 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -67.17 -7.57 45.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.5 m-20 -81.45 -58.9 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.787 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -96.74 -43.66 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.557 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -70.78 -71.93 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.418 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 109.64 7.98 27.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.555 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -140.93 -179.46 6.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.537 HD12 ' CG ' ' A' ' 104' ' ' MET . 17.1 tt -148.48 136.42 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 83' ' ' VAL . 11.1 tt0 -105.64 141.77 36.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.0 mt -124.68 117.72 24.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.571 HG12 HD11 ' A' ' 81' ' ' ILE . 3.4 t -97.14 122.02 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.6 pp -115.36 164.48 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.805 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -132.6 127.52 35.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -144.33 131.75 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -54.65 166.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.25 -42.16 39.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.034 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -127.67 148.51 17.63 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 60.15 5.38 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.44 117.19 25.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.2 t -173.18 110.12 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 68.07 138.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 110.043 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 178.01 168.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.042 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.83 118.73 0.73 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -167.25 132.37 2.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.773 . . . . 0.0 109.938 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -160.88 168.73 24.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.14 -124.09 2.08 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mp -151.25 116.15 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 109.35 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.82 171.98 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -133.17 -66.37 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 67.36 121.51 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 69.39 5.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.47 -55.17 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -48.05 146.25 2.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.313 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -142.77 173.39 11.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.08 106.3 6.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.83 162.06 27.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.34 150.56 48.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mp -83.01 159.18 22.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -42.2 132.9 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.73 140.34 9.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.031 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.857 ' HB2' HD21 ' A' ' 119' ' ' LEU . 11.1 p -65.3 177.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.688 ' O ' HD22 ' A' ' 119' ' ' LEU . 8.5 mm-40 -125.54 123.23 38.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.506 ' HG3' HD11 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -129.64 142.25 50.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.442 ' HB3' HD21 ' A' ' 27' ' ' LEU . 26.7 mt -129.81 126.11 37.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.691 ' C ' HD22 ' A' ' 27' ' ' LEU . 28.7 m -98.73 110.22 22.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.691 HD22 ' C ' ' A' ' 26' ' ' THR . 0.7 OUTLIER -109.88 125.92 53.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -105.72 116.23 31.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 29' ' ' ILE . 15.6 mm -110.91 126.21 29.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.496 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -74.98 142.14 27.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 39.2 mt -116.85 38.1 3.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -59.37 -63.39 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.56 -21.65 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' GLY . 2.5 t -74.51 -52.12 12.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.473 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -36.4 -44.93 0.9 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.51 -54.08 2.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.09 -38.16 11.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.12 -166.21 22.82 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.94 HD21 HG21 ' A' ' 114' ' ' ILE . 26.5 mt -58.18 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.22 37.49 3.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 62' ' ' ILE . 2.4 m -140.4 155.67 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.907 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -114.69 141.63 47.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.97 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.907 HD23 ' C ' ' A' ' 42' ' ' SER . 3.7 mt -119.23 169.64 9.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.94 136.88 46.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.47 129.87 10.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.418 ' HB3' HD12 ' A' ' 55' ' ' LEU . 1.1 t-20 -115.47 138.98 50.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 tttt -126.15 149.26 49.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.6 131.9 54.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.052 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -51.76 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -41.4 -57.6 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.9 p -80.44 -45.5 17.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.63 4.45 60.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.095 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 m -100.48 160.85 14.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.358 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.53 117.58 22.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' A' ' 46' ' ' ASN . 94.9 mt -54.37 -38.33 65.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.61 -147.81 19.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 93' ' ' ASN . 33.4 mm -117.26 136.17 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 78' ' ' ASP . 7.3 m-85 -126.17 126.66 44.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.509 ' HA ' HD22 ' A' ' 43' ' ' LEU . 17.9 mt -53.01 147.87 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.67 -57.05 2.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 p -178.57 148.84 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.601 ' HA ' HG12 ' A' ' 41' ' ' VAL . 2.2 mp -90.76 132.79 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.8 mp -86.63 147.84 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.91 176.25 6.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.75 24.45 60.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.57 -159.16 8.27 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.69 -55.18 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.779 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -47.05 -38.95 11.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -38.88 -47.44 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -56.59 -46.11 81.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 68' ' ' ALA . 2.3 t0 -77.7 -12.89 60.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.493 ' HA2' HG21 ' A' ' 62' ' ' ILE . . . -39.2 -27.82 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -39.22 -28.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.316 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 72' ' ' GLY . 21.8 mt -66.47 175.26 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -121.58 126.07 48.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -178.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 66.57 17.67 10.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.604 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -78.89 -158.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -145.2 108.82 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.572 ' HB3' HD12 ' A' ' 88' ' ' LEU . 6.5 mp -67.41 118.61 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.736 HD11 HG12 ' A' ' 117' ' ' VAL . 25.9 pt -106.38 5.64 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 164.64 174.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.752 HG21 HD12 ' A' ' 100' ' ' LEU . 2.5 p -163.5 119.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 66.2 17.03 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.89 -13.44 62.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -82.18 143.11 31.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.28 159.11 30.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.572 HD12 ' HB3' ' A' ' 80' ' ' LEU . 55.9 mt -130.7 -45.85 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.642 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.4 mt -50.18 -40.04 45.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.58 -22.51 63.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.105 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -93.76 -164.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 3.9 m -111.69 -176.37 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.526 ' HA ' HD11 ' A' ' 57' ' ' ILE . 97.6 m-20 -65.73 -22.28 66.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 4.8 p-80 -93.59 -74.03 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.634 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 94' ' ' HIS . 11.2 mt-10 -35.31 -45.69 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.89 -70.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 50.5 mmm -41.8 -36.94 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.18 -47.53 73.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 m -53.84 -33.3 55.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.752 HD12 HG21 ' A' ' 83' ' ' VAL . 8.8 tp -55.93 -73.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -50.03 -38.18 36.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -52.85 58.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.2 OUTLIER -68.33 -39.48 81.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.597 ' SD ' HD12 ' A' ' 39' ' ' LEU . 15.6 mtp -58.87 -26.17 63.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.8 p -95.67 -42.43 8.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.607 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -88.51 -67.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.677 ' HA ' HD11 ' A' ' 110' ' ' ILE . 4.7 mm-40 -54.31 -21.04 8.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.236 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.434 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.79 -6.37 59.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -89.68 -54.34 4.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.677 HD11 ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -76.08 -40.3 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -84.5 -71.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 119.51 8.4 9.2 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.496 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 1.1 ptt? -156.92 174.44 15.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 0.794 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.94 HG21 HD21 ' A' ' 39' ' ' LEU . 11.6 tt -137.02 147.85 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.501 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 6.6 tt0 -111.52 140.2 46.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 15.5 mt -121.58 119.01 30.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.736 HG12 HD11 ' A' ' 81' ' ' ILE . 21.1 t -102.87 112.25 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 1.2 pp -108.64 150.17 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.857 HD21 ' HB2' ' A' ' 22' ' ' SER . 3.1 tm? -123.03 129.3 51.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.01 130.74 48.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -176.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.56 -67.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.024 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -122.16 -162.87 11.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 79.86 2.56 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 90.8 p -89.89 110.84 21.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.52 118.75 2.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m 56.86 165.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.971 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.8 163.88 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.44 177.84 39.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -173.59 168.38 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 p -166.3 165.11 17.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.0 -140.3 14.98 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 66.53 131.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt 66.92 159.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.66 122.35 1.65 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.13 82.46 41.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 65.9 6.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -106.41 96.11 6.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.5 p -121.99 156.87 32.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 108.33 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -131.45 156.63 45.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.36 133.07 49.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mt -80.21 161.88 24.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.9 m -132.34 120.75 22.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mt -55.17 162.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -82.17 127.6 33.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.26 -178.06 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.007 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.464 ' HB2' HD21 ' A' ' 119' ' ' LEU . 12.9 p -138.65 171.04 14.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.694 ' O ' HD22 ' A' ' 119' ' ' LEU . 8.6 mm-40 -112.32 124.26 52.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.82 141.03 52.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.6 mt -135.7 119.49 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.608 HG23 HG22 ' A' ' 117' ' ' VAL . 1.9 m -101.11 107.31 18.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.627 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.5 mm? -109.93 128.61 55.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.09 143.09 34.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' ' 71' ' ' ASP . 7.7 mm -135.84 133.34 19.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.666 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.2 Cg_endo -75.02 149.6 36.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.568 1.825 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.78 HD11 ' CG2' ' A' ' 114' ' ' ILE . 24.5 mt -130.65 53.66 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -87.15 -57.64 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.39 -40.18 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -28.36 59.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -46.84 -39.38 11.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' GLY . 2.5 m -38.78 -56.89 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.02 -25.77 17.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 117.6 -171.2 13.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.924 HD21 ' CG2' ' A' ' 114' ' ' ILE . 24.7 mt -39.06 -68.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 106.78 44.13 1.34 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.552 ' HA ' HD13 ' A' ' 63' ' ' ILE . 2.4 m -143.5 157.5 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 0.728 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.95 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -112.02 140.08 46.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.987 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.95 HD23 ' C ' ' A' ' 42' ' ' SER . 2.9 mt -118.98 175.51 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.5 pttt -135.97 139.28 43.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.44 117.9 6.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -101.87 134.93 44.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -132.36 148.28 52.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.91 137.36 51.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -89.93 -36.48 14.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.243 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.99 -56.52 21.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.7 p -78.42 -23.36 46.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.68 41.73 98.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.1 m -141.44 159.66 41.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.756 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.44 113.99 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 61.5 mt -58.46 -36.76 74.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.8 -165.87 24.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.749 HD11 ' HA ' ' A' ' 93' ' ' ASN . 30.0 mm -104.8 146.32 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -137.27 140.55 41.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.499 ' HA ' HD22 ' A' ' 43' ' ' LEU . 39.2 mt -65.42 146.9 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.06 -56.29 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 p -177.74 147.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.612 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.6 mp -86.5 137.62 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.552 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.6 mp -89.47 101.82 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.513 ' CD2' ' N ' ' A' ' 65' ' ' GLY . 7.1 t60 -64.97 155.33 34.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.587 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.513 ' N ' ' CD2' ' A' ' 64' ' ' HIS . . . 81.49 11.98 82.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.133 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.88 -150.54 7.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.48 -64.73 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' GLY . . . -42.17 -34.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.475 ' CE1' ' ND1' ' A' ' 64' ' ' HIS . 6.8 t80 -38.11 -48.46 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -47.77 -71.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.609 ' HB2' HD11 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -63.33 -12.91 33.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.612 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.37 -29.66 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.09 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.3 OUTLIER -39.48 -28.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 110.277 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.492 HD11 HD23 ' A' ' 27' ' ' LEU . 28.8 mt -65.19 171.34 3.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 76' ' ' MET . 1.6 mmt-85 -117.92 129.67 55.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.412 ' O ' ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -51.0 -175.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 60.97 14.54 5.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.4 127.31 32.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -79.84 130.91 35.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.573 ' N ' HD12 ' A' ' 80' ' ' LEU . 4.4 mp -87.19 97.04 10.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.625 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.9 pt -77.11 -4.91 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 168.33 172.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 115' ' ' GLN . 5.7 p -159.15 136.36 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.906 ' OD1' HG22 ' A' ' 83' ' ' VAL . 0.8 OUTLIER 43.7 52.7 6.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.23 23.05 46.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.579 1.175 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 83' ' ' VAL . 20.7 tt0 -113.94 145.59 41.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -83.44 149.77 26.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.461 HD11 ' CG1' ' A' ' 83' ' ' VAL . 40.4 mt -127.28 -49.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.598 ' N ' HD23 ' A' ' 89' ' ' LEU . 3.3 mt -50.73 -36.91 38.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.54 -29.18 63.45 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -99.57 -167.39 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.783 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 80.0 p -108.97 -179.04 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.749 ' HA ' HD11 ' A' ' 57' ' ' ILE . 88.8 m-20 -54.39 -48.29 71.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -62.73 -74.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.633 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' GLU . 8.5 mt-10 -39.76 -63.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.76 -68.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.1 mmm -46.46 -34.0 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -64.73 -32.03 73.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 96' ' ' ALA . 1.3 m -74.7 -46.32 38.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.853 HD12 HG21 ' A' ' 83' ' ' VAL . 8.1 tp -48.9 -67.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 104' ' ' MET . 52.0 ttp180 -50.08 -61.5 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.304 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -46.5 -35.85 6.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -68.18 -34.63 76.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.915 ' HE1' HD12 ' A' ' 39' ' ' LEU . 20.6 mtt -64.92 -30.37 71.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.43 -13.21 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.525 ' O ' HD13 ' A' ' 110' ' ' ILE . 3.6 mmt -95.78 -52.68 3.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.558 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 7.1 mm-40 -74.08 -43.99 55.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.486 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -68.67 -6.89 52.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -82.25 -57.87 3.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.765 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -95.86 -41.57 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -76.34 -48.42 20.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.486 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 90.97 13.82 58.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.458 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 9.1 ptp -159.07 173.52 16.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.924 ' CG2' HD21 ' A' ' 39' ' ' LEU . 18.0 tt -138.65 140.07 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.945 ' O ' HG23 ' A' ' 83' ' ' VAL . 14.1 tt0 -99.43 153.06 19.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.427 ' CD2' HD11 ' A' ' 100' ' ' LEU . 37.9 mt -137.6 118.56 14.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.61 HG12 HD11 ' A' ' 81' ' ' ILE . 5.0 t -101.16 123.86 54.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -118.16 151.46 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.694 HD22 ' O ' ' A' ' 23' ' ' GLU . 2.8 tm? -131.48 116.37 17.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -114.69 134.07 55.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -61.26 162.62 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 110.26 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 57.7 p -52.08 -54.77 26.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -135.38 -145.33 5.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 125' ' ' SER . 18.3 Cg_endo -75.03 -29.8 7.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 124' ' ' PRO . 0.5 OUTLIER 47.45 96.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.95 101.78 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.145 . . . . 0.0 111.056 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m 63.47 131.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 110.041 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.34 142.75 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.77 128.33 0.95 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.38 137.8 9.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 0.789 . . . . 0.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.08 169.79 20.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.77 91.32 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp 68.83 100.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.36 80.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.17 -178.17 0.13 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -162.55 154.56 15.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -45.17 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 61.5 144.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.3 p 179.95 145.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 108.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -113.06 174.01 6.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.3 85.18 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 mt -133.89 154.92 50.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.92 74.78 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mt -133.56 132.38 40.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -167.14 155.1 9.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.53 163.52 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.501 ' HB2' HD21 ' A' ' 119' ' ' LEU . 5.5 p -44.91 159.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.84 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.8 OUTLIER -120.11 139.4 52.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -125.55 147.58 49.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.7 ' HB3' HD21 ' A' ' 27' ' ' LEU . 30.5 mt -132.35 128.22 37.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.7 ' C ' HD22 ' A' ' 27' ' ' LEU . 49.1 m -102.21 109.42 21.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.762 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -119.99 127.11 52.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -100.49 152.26 20.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -146.41 116.48 4.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.705 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.98 149.31 36.63 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.452 1.764 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 30' ' ' PRO . 17.4 mt -129.93 62.34 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -89.32 -62.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -92.54 -32.88 14.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 t -78.71 -30.21 45.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.031 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.61 -39.62 54.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.3 p -42.21 -49.89 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.003 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.1 -45.48 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 145.07 -176.26 24.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.62 HD21 ' CG2' ' A' ' 114' ' ' ILE . 18.8 mt -40.33 -69.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.33 38.42 1.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.636 ' HA ' HD13 ' A' ' 63' ' ' ILE . 4.3 m -144.75 151.46 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.794 ' C ' HD23 ' A' ' 43' ' ' LEU . 4.0 t -98.32 137.27 37.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.794 HD23 ' C ' ' A' ' 42' ' ' SER . 6.3 mt -117.16 179.74 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.14 138.41 19.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.8 132.91 11.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.28 137.74 51.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -127.48 147.34 50.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.43 125.67 53.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -52.69 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.31 -65.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.5 p -68.42 -39.85 81.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.91 46.05 5.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.479 HG22 ' N ' ' A' ' 54' ' ' ASP . 58.1 m -141.16 170.85 14.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.446 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.479 ' N ' HG22 ' A' ' 53' ' ' THR . 0.5 OUTLIER -89.84 102.59 15.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -42.2 -38.18 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.16 -162.78 22.57 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.627 HG23 ' CE ' ' A' ' 97' ' ' MET . 40.7 mm -108.16 148.18 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 4.4 m-85 -142.59 155.99 45.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.479 ' HA ' HD22 ' A' ' 43' ' ' LEU . 34.0 mt -81.08 147.79 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 42' ' ' SER . 4.1 ttpt -97.1 -53.06 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.53 168.38 3.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.71 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.8 mp -109.79 137.99 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.636 HD13 ' HA ' ' A' ' 41' ' ' VAL . 2.6 mp -91.6 111.55 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.799 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 8.1 t-80 -72.46 148.31 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.468 ' N ' ' ND1' ' A' ' 64' ' ' HIS . . . 86.97 10.27 72.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.47 -147.87 7.94 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.84 -50.85 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 72' ' ' GLY . . . -55.77 -35.81 66.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.799 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 3.8 t80 -36.99 -44.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -54.18 -53.23 56.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' ARG . 5.1 t0 -77.45 -12.8 60.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.71 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.1 -30.22 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASP . 9.9 ptm180 -38.12 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.718 HD11 ' HG ' ' A' ' 27' ' ' LEU . 32.9 mt -63.44 177.8 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -128.73 124.1 34.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.511 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -42.64 166.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 76' ' ' MET . 1.9 m-20 83.27 -0.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.496 ' O ' HD12 ' A' ' 80' ' ' LEU . 2.4 m-20 -63.15 114.47 3.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 58' ' ' PHE . 7.8 tt0 -68.76 124.15 22.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 78' ' ' ASP . 8.3 mp -83.43 116.14 22.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.64 HD11 HG12 ' A' ' 117' ' ' VAL . 2.8 pt -104.51 -44.65 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 86' ' ' GLU . . . -146.3 135.15 22.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.793 HG21 HD12 ' A' ' 100' ' ' LEU . 0.9 OUTLIER -120.75 126.51 75.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.75 ' OD1' HG22 ' A' ' 83' ' ' VAL . 0.9 OUTLIER 46.37 31.43 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.33 -28.86 10.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -56.54 131.19 47.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.79 . . . . 0.0 110.329 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.442 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -83.18 131.95 35.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.372 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.44 HD11 HG12 ' A' ' 83' ' ' VAL . 59.7 mt -111.27 -23.98 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.531 HD21 ' CB ' ' A' ' 81' ' ' ILE . 6.7 mt -49.23 -67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -50.9 -32.15 25.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -80.04 179.24 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.751 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 40.9 m -117.9 -177.49 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.623 ' HA ' HD11 ' A' ' 57' ' ' ILE . 39.8 m-20 -53.83 -48.79 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -61.57 -73.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.0 mt-10 -40.85 -62.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.59 -70.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.627 ' CE ' HG23 ' A' ' 57' ' ' ILE . 13.5 mmt -48.2 -35.85 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -30.89 69.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 96' ' ' ALA . 2.8 m -72.84 -41.05 65.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.793 HD12 HG21 ' A' ' 83' ' ' VAL . 9.4 tp -50.59 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -42.22 -37.46 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -63.19 -60.84 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -58.91 -35.86 73.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.513 ' SD ' HD12 ' A' ' 39' ' ' LEU . 45.6 mtp -56.61 -32.09 64.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.95 -25.66 15.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.618 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -87.01 -66.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.632 ' HA ' HD11 ' A' ' 110' ' ' ILE . 13.2 mm-40 -54.57 -17.81 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.478 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -93.74 -7.13 61.72 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -93.11 -57.66 2.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.654 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -76.98 -39.87 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -95.44 -72.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.478 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 117.52 20.38 4.68 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.525 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -159.6 179.15 9.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 111.059 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.66 ' CG2' HD11 ' A' ' 31' ' ' LEU . 12.5 tt -154.56 139.75 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.671 ' NE2' HG23 ' A' ' 26' ' ' THR . 36.2 tt0 -105.28 160.2 15.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 115' ' ' GLN . 30.9 mt -133.5 120.99 21.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.64 HG12 HD11 ' A' ' 81' ' ' ILE . 39.5 t -104.48 116.74 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.424 HD13 ' OD1' ' A' ' 78' ' ' ASP . 1.3 pp -106.94 155.98 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 23' ' ' GLU . 2.3 tm? -145.72 121.46 10.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.536 ' N ' HD13 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -120.92 149.65 42.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.1 172.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.3 -61.14 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -172.51 -125.03 0.8 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 70.59 5.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 46.64 90.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.95 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.3 t -85.45 -59.12 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p 55.34 102.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 0.729 . . . . 0.0 109.954 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.2 134.77 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.75 144.53 3.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.095 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -174.31 159.84 3.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.15 158.07 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.631 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -129.71 -146.57 6.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER 177.3 122.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 177.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.05 -56.67 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.049 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 64.54 114.97 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -42.51 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.5 152.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.89 155.63 40.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.239 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' A' ' 17' ' ' LEU . 9.6 p90 -54.75 -179.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 17' ' ' LEU . . . -108.01 133.81 51.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.608 ' C ' HD12 ' A' ' 17' ' ' LEU . 2.5 pp 43.53 -165.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.523 ' N ' HD12 ' A' ' 17' ' ' LEU . 78.7 p -179.43 172.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER 49.8 -176.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER 38.31 86.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.8 m -122.9 109.57 14.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t 76.12 -166.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.586 ' O ' HD22 ' A' ' 119' ' ' LEU . 2.5 mt-10 -110.63 124.12 51.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.659 ' HG3' HD11 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -143.66 144.03 31.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.409 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 27.9 mt -119.93 155.71 32.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.616 ' C ' HD22 ' A' ' 27' ' ' LEU . 29.6 m -133.25 107.71 8.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.708 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -112.9 130.48 56.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -97.01 155.72 16.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.742 HD11 ' CB ' ' A' ' 71' ' ' ASP . 25.0 mt -146.16 122.49 5.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.42 ' C ' HD23 ' A' ' 31' ' ' LEU . 18.5 Cg_endo -74.99 132.92 15.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 0.0 111.055 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.542 HD21 ' CD2' ' A' ' 39' ' ' LEU . 15.8 mt -112.02 49.87 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.7 m120 -77.72 -63.66 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -90.58 -33.25 15.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -43.99 53.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 109.999 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -40.25 -38.77 1.42 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -37.17 -65.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 110.014 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.35 -28.11 15.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 135.35 178.41 15.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.542 ' CD2' HD21 ' A' ' 31' ' ' LEU . 14.3 mt -39.15 -67.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.535 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 115.69 27.01 3.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.47 ' HA ' HD13 ' A' ' 63' ' ' ILE . 4.4 m -128.68 149.22 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.913 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -102.05 140.6 36.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.913 HD23 ' C ' ' A' ' 42' ' ' SER . 3.0 mt -116.09 176.29 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.15 151.33 48.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.34 132.87 11.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.488 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 2.2 m-20 -113.86 124.18 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -116.8 152.2 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.93 131.53 56.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -47.89 10.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -40.38 -57.58 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.2 p -83.32 -41.0 18.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.411 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.08 49.37 3.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.462 HG22 ' H ' ' A' ' 54' ' ' ASP . 9.3 m -146.03 173.78 11.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.462 ' H ' HG22 ' A' ' 53' ' ' THR . 4.6 m-20 -99.19 108.16 20.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.9 mt -47.74 -54.77 11.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.22 -145.01 10.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.535 HD11 ' HA ' ' A' ' 93' ' ' ASN . 35.3 mm -117.81 145.25 23.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 4.9 m-85 -139.61 130.09 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.454 HD12 ' HB2' ' A' ' 78' ' ' ASP . 49.4 mt -51.72 152.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.41 -51.42 2.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.91 149.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.962 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.66 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.4 mp -93.64 139.46 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.535 HD13 ' O ' ' A' ' 40' ' ' GLY . 3.8 mp -94.44 97.8 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -52.37 -176.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.614 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 43.83 35.7 3.35 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.83 -151.27 5.55 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.54 -57.56 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.434 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -53.21 -31.09 41.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -40.58 -40.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -53.25 -47.26 69.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.742 ' CB ' HD11 ' A' ' 29' ' ' ILE . 22.8 t0 -86.89 -13.33 45.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.66 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -38.13 -29.04 0.05 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 71' ' ' ASP . 13.5 ptp180 -39.15 -29.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.2 mt -67.56 178.83 1.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -127.59 137.34 52.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.5 176.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 63.43 27.5 15.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.456 ' HB3' ' CG2' ' A' ' 118' ' ' ILE . 48.4 m-20 -90.45 93.09 9.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -51.96 127.55 21.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 80' ' ' LEU . 3.5 mp -86.94 92.61 9.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.804 ' HA ' HD21 ' A' ' 89' ' ' LEU . 28.1 pt -73.31 -6.02 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 178.45 -179.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.02 HG21 HD12 ' A' ' 100' ' ' LEU . 2.6 p -169.36 122.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.239 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.32 19.97 4.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.77 -8.74 68.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.73 ' HG2' HG21 ' A' ' 99' ' ' THR . 0.7 OUTLIER -87.6 130.46 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.65 153.94 42.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.416 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.443 HD12 ' HB3' ' A' ' 80' ' ' LEU . 80.6 mt -126.28 -43.16 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.804 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.2 mt -48.18 -39.75 21.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.4 -28.8 71.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' LEU . 7.3 mttt -94.9 -175.63 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 50.3 m -103.99 -172.03 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.535 ' HA ' HD11 ' A' ' 57' ' ' ILE . 44.4 m-20 -62.14 -51.29 68.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 95' ' ' GLU . 74.7 t60 -62.84 -71.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' ALA . 6.4 mt-10 -38.47 -65.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.71 -68.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.417 ' HG2' ' CD1' ' A' ' 57' ' ' ILE . 17.3 mmm -47.35 -37.59 11.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -63.19 -30.58 71.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.73 HG21 ' HG2' ' A' ' 86' ' ' GLU . 1.2 m -77.79 -44.23 28.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 1.02 HD12 HG21 ' A' ' 83' ' ' VAL . 14.3 tp -45.29 -74.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.427 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 19.0 ptt180 -46.78 -26.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -73.53 -61.24 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.429 ' CA ' ' HB2' ' A' ' 107' ' ' GLU . 1.9 m -59.14 -13.49 7.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.064 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.535 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 11.7 mtm -75.18 -46.17 35.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.3 OUTLIER -97.14 -36.48 10.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -62.4 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.429 ' HB2' ' CA ' ' A' ' 103' ' ' SER . 3.6 mm-40 -74.26 -18.69 60.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -93.9 -8.64 60.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 105' ' ' SER . 1.7 m-20 -72.69 -36.41 67.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.802 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -97.34 -34.49 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.414 ' N ' HG12 ' A' ' 110' ' ' ILE . 2.4 mmp_? -79.89 -69.07 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 117.58 10.34 9.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.484 ' SD ' ' C ' ' A' ' 113' ' ' MET . 0.0 OUTLIER -161.8 -168.65 2.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 111.011 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.465 ' CG2' HD21 ' A' ' 39' ' ' LEU . 5.6 tt -148.3 133.43 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.458 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 9.6 tt0 -95.61 129.7 42.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.1 mt -113.66 117.9 32.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.736 HG12 HD11 ' A' ' 81' ' ' ILE . 38.5 t -104.72 126.62 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 78' ' ' ASP . 1.5 pp -117.74 147.87 20.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.736 ' HB2' HG21 ' A' ' 81' ' ' ILE . 3.1 tm? -115.44 122.02 44.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -134.18 113.53 12.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.13 -53.08 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.27 -61.17 1.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.062 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 128.46 -175.87 18.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 63.62 6.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.1 128.18 38.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.05 154.18 8.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.055 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.794 ' O ' HD22 ' A' ' 119' ' ' LEU . 4.8 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.406 ' HG3' HD11 ' A' ' 81' ' ' ILE . 0.5 OUTLIER -136.25 140.85 43.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 mt -117.79 150.2 39.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.604 ' C ' HD22 ' A' ' 27' ' ' LEU . 12.4 m -124.92 108.29 11.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.604 HD22 ' C ' ' A' ' 26' ' ' THR . 1.3 mm? -107.76 137.69 45.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.52 123.62 50.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.3 mp -121.83 121.0 28.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.525 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.4 Cg_endo -74.99 138.23 22.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.631 HD21 HD23 ' A' ' 39' ' ' LEU . 20.1 mt -117.25 49.97 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.442 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 60.0 m-80 -80.69 -61.4 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.86 -33.77 15.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -76.01 -44.52 39.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.951 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -39.68 -44.5 2.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 m -38.08 -58.42 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.94 -45.03 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.28 -176.03 27.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.085 HD21 HG21 ' A' ' 114' ' ' ILE . 29.2 mt -44.95 -62.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.553 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 111.69 13.87 12.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 62' ' ' ILE . 5.7 m -123.07 155.27 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 0.759 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.956 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -112.28 144.07 42.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.943 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.956 HD23 ' C ' ' A' ' 42' ' ' SER . 3.2 mt -121.19 163.98 17.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.96 139.52 46.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.28 139.91 14.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.3 130.56 55.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.88 148.62 36.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.95 129.85 54.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -87.86 -26.9 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.715 ' HG2' HG23 ' A' ' 51' ' ' THR . 1.4 pm0 -63.5 -29.09 70.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.715 HG23 ' HG2' ' A' ' 50' ' ' GLU . 6.8 p -108.23 -36.49 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.355 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.89 22.13 53.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.69 HG23 ' N ' ' A' ' 54' ' ' ASP . 1.2 t -122.54 -164.22 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 0.773 . . . . 0.0 110.411 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.69 ' N ' HG23 ' A' ' 53' ' ' THR . 0.1 OUTLIER -114.52 104.25 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -42.3 -39.98 2.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.67 -150.77 21.29 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.799 HD11 ' HA ' ' A' ' 93' ' ' ASN . 23.9 mm -117.37 143.16 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.488 ' CZ ' ' CD ' ' A' ' 79' ' ' GLN . 6.4 m-85 -140.39 141.14 35.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.611 ' HA ' HD22 ' A' ' 43' ' ' LEU . 39.1 mt -54.25 145.38 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.68 -48.44 4.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.0 139.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.04 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.645 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.3 mp -85.63 139.82 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.553 HD13 ' O ' ' A' ' 40' ' ' GLY . 4.1 mp -96.63 101.17 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.588 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 1.5 m80 -53.1 -175.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.583 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 47.07 26.58 3.12 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.26 -155.06 8.55 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.93 -51.05 5.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 0.804 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -58.99 -31.67 68.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 6.5 t80 -36.86 -42.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -51.2 -50.98 58.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -86.07 -13.0 48.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.645 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -43.31 -24.12 0.32 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 71' ' ' ASP . 1.6 ptm180 -37.84 -29.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 110.275 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' GLY . 25.2 mt -67.45 -174.03 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.85 143.04 46.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -49.13 173.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.62 19.82 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.703 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -86.67 95.14 9.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.488 ' CD ' ' CZ ' ' A' ' 58' ' ' PHE . 32.2 tt0 -52.17 131.97 32.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.703 HD12 ' O ' ' A' ' 78' ' ' ASP . 6.9 mp -97.52 93.39 6.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.849 HG22 HD11 ' A' ' 89' ' ' LEU . 21.0 pt -73.74 -4.17 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 178.07 -176.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.02 HG21 HD12 ' A' ' 100' ' ' LEU . 2.7 p -171.87 114.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.61 20.46 9.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.62 -8.34 68.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.711 ' HG2' HG21 ' A' ' 99' ' ' THR . 0.4 OUTLIER -90.92 131.01 36.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 110.326 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.34 155.77 40.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.624 HD12 ' HB3' ' A' ' 80' ' ' LEU . 65.4 mt -125.97 -44.15 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.849 HD11 HG22 ' A' ' 81' ' ' ILE . 3.2 mt -48.55 -40.72 28.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.36 -25.98 63.47 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 88' ' ' LEU . 7.7 mttt -97.99 -174.72 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -103.2 -174.57 2.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.799 ' HA ' HD11 ' A' ' 57' ' ' ILE . 6.2 m120 -60.21 -52.23 66.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 95' ' ' GLU . 7.2 p-80 -61.92 -71.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.625 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 98' ' ' GLU . 8.4 mt-10 -38.39 -64.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -39.91 -69.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 33.6 mmm -49.43 -28.22 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -73.24 -28.63 62.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.711 HG21 ' HG2' ' A' ' 86' ' ' GLU . 1.3 m -74.06 -42.87 59.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.02 HD12 HG21 ' A' ' 83' ' ' VAL . 8.5 tp -45.84 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -33.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -62.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.2 m -59.0 -28.83 66.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.472 ' HG3' ' CD1' ' A' ' 114' ' ' ILE . 26.6 mtp -66.0 -35.23 80.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.4 -21.15 17.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.06 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.544 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -84.33 -57.68 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 4.4 mm-40 -72.01 -40.12 68.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.492 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -67.73 -7.0 46.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 106' ' ' MET . 5.6 t30 -88.98 -66.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.766 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.605 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -76.8 -39.42 30.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -87.18 -70.7 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.492 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 111.01 9.61 22.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.525 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 9.6 mtm -143.85 165.51 27.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 111.051 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 1.085 HG21 HD21 ' A' ' 39' ' ' LEU . 11.6 tt -138.16 136.43 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.499 ' NE2' ' CG2' ' A' ' 26' ' ' THR . 17.5 tt0 -103.79 141.19 36.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.9 mt -121.43 118.59 29.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.747 HG12 HD11 ' A' ' 81' ' ' ILE . 18.9 t -103.44 114.8 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 pp -111.14 162.48 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.794 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -132.47 121.74 23.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.795 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.5 mm-40 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -127.74 141.73 51.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.1 mt -123.75 126.48 46.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.446 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 6.2 m -102.55 105.67 16.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 110.346 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.658 ' HG ' HD11 ' A' ' 74' ' ' LEU . 2.9 mm? -100.23 141.21 33.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -118.38 120.45 37.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.2 mt -119.64 119.9 31.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.562 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.0 148.0 34.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.788 HD21 HD23 ' A' ' 39' ' ' LEU . 51.1 mt -123.96 40.54 3.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 1.1 p30 -61.29 -63.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.3 -25.37 15.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.5 t -72.97 -43.91 61.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.465 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -37.68 -40.1 0.67 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -38.41 -64.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 109.972 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.87 -29.28 16.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 126.7 179.13 15.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.791 HD12 ' SD ' ' A' ' 104' ' ' MET . 18.6 mt -39.4 -70.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 114.85 32.19 1.94 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.447 ' HA ' HD13 ' A' ' 63' ' ' ILE . 3.2 m -131.53 152.31 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.902 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -112.84 138.96 48.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.03 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.902 HD23 ' C ' ' A' ' 42' ' ' SER . 2.4 mt -114.43 157.31 23.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.49 136.45 53.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.18 135.83 13.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.548 ' HB3' HD12 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -116.95 134.92 54.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -131.74 149.18 52.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.82 132.98 56.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -38.05 20.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.39 -65.59 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.227 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.1 p -75.37 -18.34 59.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.06 35.31 83.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 m -122.15 168.57 11.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.361 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -94.21 107.44 19.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.548 HD12 ' HB3' ' A' ' 46' ' ' ASN . 74.2 mt -52.75 -31.12 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.72 -134.61 9.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 12.6 mm -128.78 147.01 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.541 ' CZ ' ' CD ' ' A' ' 79' ' ' GLN . 11.1 m-85 -141.85 132.47 25.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.449 ' HA ' HD22 ' A' ' 43' ' ' LEU . 23.0 mt -50.45 145.55 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.24 -53.74 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.4 145.05 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.689 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.2 mp -88.36 135.65 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 63' ' ' ILE . 3.8 mp -90.98 106.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -57.91 -178.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.64 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 47.78 33.84 10.0 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -138.0 -160.33 8.46 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.15 -50.0 8.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -58.79 -36.54 74.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 68' ' ' ALA . 21.0 t80 -35.85 -43.53 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -52.32 -54.03 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 73' ' ' ARG . 4.0 t70 -80.43 -12.87 59.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.689 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -39.67 -27.24 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 71' ' ' ASP . 13.0 ptt180 -37.49 -30.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.658 HD11 ' HG ' ' A' ' 27' ' ' LEU . 17.2 mt -62.33 177.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -124.73 132.32 53.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -46.45 173.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 67.48 26.48 8.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -89.83 96.87 10.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.541 ' CD ' ' CZ ' ' A' ' 58' ' ' PHE . 30.2 tt0 -51.84 139.68 21.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.533 ' O ' HD21 ' A' ' 89' ' ' LEU . 4.0 mp -101.94 112.52 25.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.694 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.3 pt -94.9 7.32 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 163.08 166.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.967 HG21 HD12 ' A' ' 100' ' ' LEU . 3.4 p -152.03 121.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 107' ' ' GLU . 0.5 OUTLIER 57.54 18.6 4.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.86 -18.5 49.78 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.461 1.1 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -69.19 161.6 28.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.27 138.39 39.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.507 HD12 ' HB3' ' A' ' 80' ' ' LEU . 89.3 mt -114.28 -37.86 4.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.563 ' N ' HD23 ' A' ' 89' ' ' LEU . 4.0 mt -60.17 -37.02 78.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.74 -27.76 73.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -87.75 -141.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.74 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.06 -150.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.987 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.415 ' HA ' HD11 ' A' ' 57' ' ' ILE . 7.4 m120 -80.9 -54.71 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.467 ' CD2' ' HG2' ' A' ' 95' ' ' GLU . 13.5 p-80 -64.57 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' A' ' 94' ' ' HIS . 2.6 mt-10 -36.02 -69.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.453 ' HB1' HD22 ' A' ' 88' ' ' LEU . . . -37.15 -66.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.418 ' HE1' HD12 ' A' ' 43' ' ' LEU . 16.1 mmt -47.94 -43.37 29.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.427 ' OE2' ' NE ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -62.74 -20.91 65.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.431 ' O ' ' CB ' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -91.27 -51.77 5.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.967 HD12 HG21 ' A' ' 83' ' ' VAL . 8.6 tp -39.73 -71.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -50.05 -29.7 9.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 99' ' ' THR . 3.1 ttp85 -64.9 -59.51 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 107' ' ' GLU . 32.9 p -53.59 -34.54 58.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.791 ' SD ' HD12 ' A' ' 39' ' ' LEU . 16.2 mtt -59.17 -34.36 72.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.467 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.6 OUTLIER -96.67 -41.72 8.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.467 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -75.9 -61.07 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.617 ' HA ' HD11 ' A' ' 110' ' ' ILE . 7.7 mm-40 -71.33 -13.95 62.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.44 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.39 -5.39 60.44 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.445 1.09 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 105' ' ' SER . 4.2 m-20 -90.16 -55.96 3.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.628 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -75.98 -41.56 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -83.98 -71.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.334 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 119.34 9.71 8.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.54 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 11.2 ptp -158.69 174.41 15.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.766 ' CG2' HD21 ' A' ' 39' ' ' LEU . 7.4 tt -136.41 151.03 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.446 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 11.1 tt0 -115.61 152.73 32.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.243 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.416 ' N ' ' HG2' ' A' ' 115' ' ' GLN . 67.1 mt -131.71 123.67 28.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.621 HG12 HD11 ' A' ' 81' ' ' ILE . 6.1 t -104.98 113.72 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -109.04 164.44 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.795 HD22 ' O ' ' A' ' 23' ' ' GLU . 2.4 tm? -139.67 129.05 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.531 ' N ' HD13 ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.696 ' O ' HD22 ' A' ' 119' ' ' LEU . 15.4 mm-40 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.82 140.44 49.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.506 ' HB3' HD21 ' A' ' 27' ' ' LEU . 24.9 mt -126.69 114.63 18.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.68 ' C ' HD22 ' A' ' 27' ' ' LEU . 19.4 m -100.23 111.65 23.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.417 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.74 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -113.86 125.78 54.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.14 135.96 41.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.637 HD11 ' OD2' ' A' ' 71' ' ' ASP . 2.5 mp -126.23 122.16 24.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.709 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.93 146.79 33.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.709 HD23 ' O ' ' A' ' 30' ' ' PRO . 42.6 mt -126.81 51.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.442 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 18.1 m-80 -92.18 -62.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.54 -48.36 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.433 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -76.48 -20.91 56.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' SER . . . -36.6 -39.46 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m -52.78 -57.32 10.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.75 -53.16 6.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 34' ' ' SER . . . 129.86 -174.26 19.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.944 HD12 ' CE ' ' A' ' 104' ' ' MET . 29.8 mt -40.44 -69.07 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.81 53.25 1.55 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.477 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -144.11 154.95 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.909 ' C ' HD23 ' A' ' 43' ' ' LEU . 2.3 t -115.22 133.05 56.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.909 HD23 ' C ' ' A' ' 42' ' ' SER . 2.8 mt -116.38 176.49 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -136.45 143.64 43.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.19 118.73 6.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.474 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 1.2 t-20 -96.85 132.03 43.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -121.85 153.9 37.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.469 ' HB3' HG22 ' A' ' 51' ' ' THR . 0.5 OUTLIER -116.75 145.99 43.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.04 -47.98 7.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.06 -66.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.506 HG23 ' H ' ' A' ' 53' ' ' THR . 6.5 t -67.64 -20.1 65.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.26 31.96 70.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.153 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.506 ' H ' HG23 ' A' ' 51' ' ' THR . 3.1 m -140.05 153.25 46.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.391 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.92 135.55 56.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.0 mt -77.05 -45.45 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.84 -133.32 3.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.658 HD11 ' HA ' ' A' ' 93' ' ' ASN . 17.9 mm -134.4 143.41 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 0.735 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 46' ' ' ASN . 26.9 m-85 -135.9 132.13 36.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.529 ' HA ' HD22 ' A' ' 43' ' ' LEU . 39.2 mt -59.46 146.81 9.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -99.32 -53.01 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 p -173.62 164.84 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.795 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.6 mp -108.75 127.2 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.499 HD12 ' N ' ' A' ' 63' ' ' ILE . 4.0 mp -87.11 112.47 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -65.75 165.29 12.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.608 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.495 ' N ' ' CG ' ' A' ' 64' ' ' HIS . . . 71.01 13.37 72.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.88 -161.08 11.3 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' A' ' 34' ' ' SER . . . -85.7 -38.79 17.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.477 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -65.03 -32.69 74.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -42.34 -40.61 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -56.75 -42.58 79.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.637 ' OD2' HD11 ' A' ' 29' ' ' ILE . 17.4 t0 -88.23 -13.51 40.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.795 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.67 -29.85 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 71' ' ' ASP . 9.3 ptm180 -38.14 -30.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' GLY . 33.9 mt -64.33 -175.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -134.8 128.75 33.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.419 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -43.46 167.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 70.52 22.8 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -89.7 101.28 13.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.414 ' HG3' ' CE1' ' A' ' 58' ' ' PHE . 17.3 tt0 -55.78 134.74 51.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 80' ' ' LEU . 1.6 mp -93.65 131.62 38.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.767 ' HA ' HD21 ' A' ' 89' ' ' LEU . 23.2 pt -116.64 7.95 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 162.26 159.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.735 HG21 HD12 ' A' ' 100' ' ' LEU . 1.4 p -147.1 120.34 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.716 HD22 HG22 ' A' ' 83' ' ' VAL . 10.8 p30 49.35 22.73 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 83' ' ' VAL . . . 106.68 -28.1 14.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' VAL . 3.5 mm-40 -63.2 142.38 58.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.79 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.406 ' O ' ' CE ' ' A' ' 91' ' ' LYS . 0.4 OUTLIER -93.6 141.16 28.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.429 HD12 ' CB ' ' A' ' 80' ' ' LEU . 70.7 mt -114.58 -39.81 3.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.767 HD21 ' HA ' ' A' ' 81' ' ' ILE . 5.3 mt -51.05 -53.26 35.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.26 -27.43 52.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.406 ' CE ' ' O ' ' A' ' 87' ' ' THR . 6.3 mttm -88.89 -153.14 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.1 p -132.83 -150.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.658 ' HA ' HD11 ' A' ' 57' ' ' ILE . 62.7 m-20 -80.48 -51.99 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -66.0 -67.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.602 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 96' ' ' ALA . 9.0 mt-10 -39.23 -65.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -39.29 -69.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.531 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 11.0 mmt -44.56 -50.72 9.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -29.14 57.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -81.04 -51.68 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.735 HD12 HG21 ' A' ' 83' ' ' VAL . 8.1 tp -39.68 -66.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -54.13 -34.39 60.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -57.26 -51.78 67.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.547 ' CB ' ' ND2' ' A' ' 84' ' ' ASN . 23.9 m -60.3 -40.49 90.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.944 ' CE ' HD12 ' A' ' 39' ' ' LEU . 13.7 mtt -54.86 -28.18 48.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.6 t -97.11 -40.16 8.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.569 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -80.34 -64.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.642 ' HA ' HD11 ' A' ' 110' ' ' ILE . 3.1 mm-40 -60.3 -13.5 13.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.423 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -93.68 -7.54 61.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -93.53 -59.54 1.99 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -74.62 -39.52 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -95.32 -72.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.423 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 112.27 23.66 5.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.442 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -162.81 172.43 15.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 0.8 . . . . 0.0 111.021 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.915 ' CG2' HD21 ' A' ' 39' ' ' LEU . 18.7 tt -142.74 137.04 27.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.519 ' CD ' HG22 ' A' ' 26' ' ' THR . 20.9 tt0 -105.66 154.97 19.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.6 mt -130.97 126.65 36.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.502 HG12 HD11 ' A' ' 81' ' ' ILE . 6.3 t -109.67 110.26 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 119' ' ' LEU . 1.0 OUTLIER -104.2 163.44 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -138.26 136.52 36.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.461 ' H ' HD22 ' A' ' 119' ' ' LEU . 6.6 ttp180 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.593 ' HB2' HD22 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -138.76 144.43 39.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.42 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 23.7 mt -121.14 152.9 38.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.471 ' C ' HD22 ' A' ' 27' ' ' LEU . 94.3 m -133.39 114.3 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.471 HD22 ' C ' ' A' ' 26' ' ' THR . 1.5 mm? -107.28 150.97 26.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.13 125.53 48.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.424 HD11 ' OD2' ' A' ' 71' ' ' ASP . 4.9 mt -123.01 117.42 28.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.646 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.01 142.71 28.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 30' ' ' PRO . 15.0 mt -119.32 37.47 4.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.417 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 66.6 m-80 -64.27 -63.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.29 -30.11 13.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.445 ' OG ' ' CB ' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -75.34 -19.23 59.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.88 -27.33 50.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -50.13 -58.08 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 110.036 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.25 -45.71 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 132.13 -170.53 21.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.958 HD12 ' HE1' ' A' ' 104' ' ' MET . 26.5 mt -40.17 -66.17 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.7 56.04 1.37 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.62 ' HA ' HD13 ' A' ' 63' ' ' ILE . 2.9 m -145.78 154.0 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.899 ' C ' HD23 ' A' ' 43' ' ' LEU . 1.4 p -99.86 133.64 43.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.899 HD23 ' C ' ' A' ' 42' ' ' SER . 5.1 mt -124.06 179.42 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.76 145.68 27.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.93 109.0 2.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -85.92 138.85 31.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -129.17 150.1 50.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.3 133.02 55.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -90.54 -44.89 9.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -62.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.6 p -70.19 -42.76 71.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.364 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.39 33.04 7.82 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.597 HG23 ' N ' ' A' ' 54' ' ' ASP . 3.1 t -132.27 -162.22 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 110.423 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.597 ' N ' HG23 ' A' ' 53' ' ' THR . 0.7 OUTLIER -115.69 117.82 31.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 74.6 mt -55.88 -30.74 62.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.37 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.37 -152.0 19.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.942 HG22 HD13 ' A' ' 80' ' ' LEU . 37.2 mm -111.49 164.17 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 88.0 m-85 -161.04 136.98 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.564 ' HA ' HD22 ' A' ' 43' ' ' LEU . 35.0 mt -69.25 147.51 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 42' ' ' SER . 4.7 ttpt -96.2 -54.99 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.95 161.57 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.954 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.674 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.8 mp -101.54 140.99 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.62 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.5 mp -97.07 105.35 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.415 ' ND1' ' CE1' ' A' ' 69' ' ' PHE . 5.9 m-70 -57.98 -179.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.631 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.07 35.04 4.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.33 -152.06 5.74 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.445 ' CB ' ' OG ' ' A' ' 34' ' ' SER . . . -87.55 -59.61 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' GLY . . . -52.86 -33.43 49.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.415 ' CE1' ' ND1' ' A' ' 64' ' ' HIS . 5.8 t80 -37.04 -44.19 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -55.39 -51.51 66.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' ARG . 0.6 OUTLIER -78.08 -12.66 60.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.674 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -36.72 -30.87 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.046 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASP . 8.2 ptp180 -38.97 -29.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' GLY . 13.5 mt -64.85 177.14 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -128.3 125.65 39.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 75' ' ' ARG . 1.7 ptt? -43.11 167.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.61 7.51 4.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.78 93.43 2.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -44.21 135.23 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.942 HD13 HG22 ' A' ' 57' ' ' ILE . 6.5 mp -97.1 103.44 15.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.703 ' HA ' HD21 ' A' ' 89' ' ' LEU . 35.7 pt -88.37 4.78 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 168.08 171.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.932 HG21 HD12 ' A' ' 100' ' ' LEU . 3.1 p -161.61 120.86 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 56.71 18.4 3.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.75 -16.86 54.18 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.432 ' HB2' HG13 ' A' ' 83' ' ' VAL . 17.8 mm-40 -69.18 162.33 27.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.95 135.73 50.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.67 HD12 ' HB3' ' A' ' 80' ' ' LEU . 40.8 mt -112.64 -33.75 6.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.703 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.5 mt -62.15 -26.36 68.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.53 -29.28 49.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -95.05 -161.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.01 -159.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.523 ' HA ' HD11 ' A' ' 57' ' ' ILE . 12.9 m120 -73.72 -49.71 24.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.422 ' CD2' ' H ' ' A' ' 95' ' ' GLU . 9.7 p-80 -63.92 -68.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.648 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.422 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 10.2 mt-10 -38.11 -67.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.586 ' HB1' HD22 ' A' ' 88' ' ' LEU . . . -40.07 -71.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.895 ' HE1' HD12 ' A' ' 43' ' ' LEU . 15.5 mmt -42.13 -49.91 4.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -59.79 -34.88 73.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -75.41 -37.8 60.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.932 HD12 HG21 ' A' ' 83' ' ' VAL . 7.7 tp -51.8 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 102' ' ' ARG . 1.3 ptt85 -56.23 -46.02 79.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.459 ' N ' ' CG ' ' A' ' 101' ' ' ARG . 19.3 ttt180 -52.52 -43.27 65.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 107' ' ' GLU . 3.1 m -62.76 -44.69 95.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.958 ' HE1' HD12 ' A' ' 39' ' ' LEU . 11.9 mtt -52.1 -29.57 22.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.2 OUTLIER -96.97 -57.02 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.008 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -59.08 3.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 103' ' ' SER . 19.7 mm-40 -67.81 -21.73 65.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -95.92 -8.59 57.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 105' ' ' SER . 2.1 t30 -80.09 -44.86 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.576 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -80.97 -36.2 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -87.69 -71.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 125.37 6.15 6.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.552 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 1.9 ptt? -157.97 -170.96 3.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 0.74 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.671 ' CG2' HD21 ' A' ' 39' ' ' LEU . 15.9 tt -147.43 164.5 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.49 ' CG ' ' N ' ' A' ' 116' ' ' LEU . 8.3 tt0 -129.95 159.53 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.329 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.49 ' N ' ' CG ' ' A' ' 115' ' ' GLN . 51.2 mt -133.18 122.14 23.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.575 HG12 HD11 ' A' ' 81' ' ' ILE . 3.5 t -107.08 108.68 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.1 pp -104.37 151.49 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.36 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.593 HD22 ' HB2' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -123.42 114.28 19.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.445 ' N ' HD13 ' A' ' 119' ' ' LEU . 18.2 ttp85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.672 ' O ' HD22 ' A' ' 119' ' ' LEU . 2.6 mt-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -138.0 143.9 40.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.419 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 26.3 mt -122.96 140.97 52.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.504 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 29.9 m -125.15 106.78 10.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.688 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -113.5 123.03 49.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -84.08 142.9 30.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.0 mt -131.4 116.24 16.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.547 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.1 Cg_endo -75.04 130.46 13.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.979 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.484 HD11 ' CG2' ' A' ' 114' ' ' ILE . 15.6 mt -113.65 55.65 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 48.1 m-80 -87.08 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -87.04 -37.9 17.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.13 -45.11 43.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.463 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -39.98 -37.67 1.06 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -51.4 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.39 -38.39 10.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.66 177.8 15.21 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.824 HD21 HG21 ' A' ' 114' ' ' ILE . 26.8 mt -40.21 -71.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.12 40.17 1.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.476 HG12 ' HA ' ' A' ' 62' ' ' ILE . 2.6 m -142.92 157.22 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.883 ' C ' HD23 ' A' ' 43' ' ' LEU . 4.0 t -113.57 138.94 49.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.883 HD23 ' C ' ' A' ' 42' ' ' SER . 3.1 mt -115.51 176.23 5.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -139.04 141.97 38.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.45 123.67 7.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -105.51 142.84 34.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.798 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -125.85 148.84 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.08 137.23 50.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.39 -52.69 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -41.15 -67.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p -68.71 -45.67 70.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.98 48.51 3.11 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.4 m -150.47 161.91 41.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 110.401 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.75 109.93 14.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.235 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.442 ' O ' ' NE2' ' A' ' 79' ' ' GLN . 68.1 mt -46.55 -41.9 15.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.74 -164.78 26.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.817 HD11 ' HA ' ' A' ' 93' ' ' ASN . 45.8 mm -98.84 133.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -125.09 128.16 48.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.518 HD12 ' HB2' ' A' ' 78' ' ' ASP . 53.4 mt -52.68 147.56 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 76' ' ' MET . 1.9 ttpt -100.29 -56.14 2.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 p -173.67 152.68 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.657 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.0 mp -98.2 132.1 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.5 mp -84.76 153.78 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -103.04 152.6 21.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.616 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.11 16.78 60.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.68 -164.79 10.65 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.75 -44.41 20.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.478 ' HB1' HG23 ' A' ' 62' ' ' ILE . . . -48.66 -46.35 40.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 69' ' ' PHE . 1.7 t80 -37.38 -44.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -53.63 -50.78 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.465 ' OD1' ' CB ' ' A' ' 27' ' ' LEU . 34.5 t70 -80.5 -13.1 59.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.657 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -43.05 -25.24 0.35 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 71' ' ' ASP . 12.7 ptp180 -41.4 -27.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.727 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.609 HD11 HD23 ' A' ' 27' ' ' LEU . 24.1 mt -69.9 174.93 4.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 76' ' ' MET . 6.7 mmt85 -122.42 128.06 50.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.442 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -39.98 161.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 111.008 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 76' ' ' MET . 1.1 m-20 75.12 39.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.518 ' HB2' HD12 ' A' ' 59' ' ' ILE . 4.9 m-20 -104.6 92.01 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 55' ' ' LEU . 12.1 tt0 -45.59 128.15 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.483 HD13 HG22 ' A' ' 57' ' ' ILE . 4.7 mp -89.97 88.01 7.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.727 HD11 HG12 ' A' ' 117' ' ' VAL . 27.1 pt -66.52 -10.7 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -177.2 -178.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.821 HG21 HD12 ' A' ' 100' ' ' LEU . 2.4 p -165.63 116.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.94 20.35 12.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.09 -9.57 65.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -87.57 139.15 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.27 149.28 35.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.645 HD21 HG11 ' A' ' 83' ' ' VAL . 57.4 mt -121.66 -44.03 2.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.663 HD11 HG22 ' A' ' 81' ' ' ILE . 2.7 mt -51.07 -41.2 59.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.1 -29.88 45.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -97.76 -165.86 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.744 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 58.9 m -110.01 -176.43 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.817 ' HA ' HD11 ' A' ' 57' ' ' ILE . 54.8 m-20 -57.68 -47.91 80.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.472 ' CD2' ' H ' ' A' ' 95' ' ' GLU . 7.3 p-80 -64.23 -73.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.611 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.472 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 13.4 mt-10 -38.04 -64.07 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.99 -69.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 17.5 mmm -47.85 -31.52 5.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -68.14 -33.58 74.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 96' ' ' ALA . 1.1 m -69.09 -46.2 68.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.821 HD12 HG21 ' A' ' 83' ' ' VAL . 10.4 tp -43.94 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -43.07 -37.01 1.82 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -58.3 9.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 107' ' ' GLU . 8.3 p -61.32 -38.29 86.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.04 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.533 ' SD ' HD12 ' A' ' 39' ' ' LEU . 37.9 mtp -57.87 -29.41 65.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.419 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 2.4 t -96.36 -32.81 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.969 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.695 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -86.7 -68.92 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.611 ' HA ' HD11 ' A' ' 110' ' ' ILE . 5.5 mm-40 -53.82 -20.62 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.463 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -94.74 -7.23 60.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 105' ' ' SER . 3.6 m-20 -91.96 -56.15 3.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 106' ' ' MET . 0.3 OUTLIER -77.64 -40.19 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -95.75 -73.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.463 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 116.57 13.38 8.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.547 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 2.1 mtp -140.47 172.31 12.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.824 HG21 HD21 ' A' ' 39' ' ' LEU . 15.6 tt -147.91 140.14 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.504 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 13.8 tt0 -109.49 148.41 31.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.406 ' N ' ' HG2' ' A' ' 115' ' ' GLN . 78.4 mt -128.45 117.66 21.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.727 HG12 HD11 ' A' ' 81' ' ' ILE . 25.5 t -102.31 109.95 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.45 ' CG2' ' HB3' ' A' ' 78' ' ' ASP . 1.8 pp -103.54 160.24 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.672 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.2 tm? -125.44 124.06 40.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.694 ' O ' HD22 ' A' ' 119' ' ' LEU . 2.3 mp0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.426 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -145.73 144.58 30.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.426 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 21.7 mt -119.96 138.58 53.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.455 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 3.4 m -107.81 106.18 16.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.1 mm? -99.85 132.03 45.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -115.0 117.53 30.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -117.37 122.1 31.41 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.715 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.2 Cg_endo -75.03 145.71 31.67 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.436 1.756 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.715 HD23 ' O ' ' A' ' 30' ' ' PRO . 20.2 mt -122.81 37.49 4.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 59.7 m-80 -66.74 -63.23 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -94.95 -28.52 15.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -75.04 -35.1 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -42.75 -38.05 3.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -39.02 -63.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.024 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.17 -22.49 18.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 112.82 -175.54 16.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.692 HD12 ' CE ' ' A' ' 104' ' ' MET . 17.9 mt -39.72 -67.11 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.69 47.27 1.4 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.621 HG13 ' CB ' ' A' ' 68' ' ' ALA . 3.3 m -141.72 157.51 20.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.939 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -115.83 139.77 49.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.939 HD23 ' C ' ' A' ' 42' ' ' SER . 3.1 mt -119.52 177.2 5.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' HG23 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -129.52 175.89 8.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.71 129.36 5.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.32 123.73 49.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -110.78 139.92 45.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.426 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -104.4 133.65 48.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -31.12 24.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.87 -54.04 51.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.6 p -86.64 -3.53 59.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.46 39.82 37.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.125 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.59 HG23 ' N ' ' A' ' 54' ' ' ASP . 11.2 t -140.48 -151.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.59 ' N ' HG23 ' A' ' 53' ' ' THR . 1.2 p30 -114.07 150.45 33.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.1 mt -91.49 -39.75 11.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.06 -160.93 28.25 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.905 HD11 ' HA ' ' A' ' 93' ' ' ASN . 12.4 mm -115.54 132.67 64.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -123.34 131.6 53.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.635 HD12 ' HB2' ' A' ' 78' ' ' ASP . 53.1 mt -46.55 146.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.28 -57.42 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 p -176.86 130.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.633 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.0 mp -72.21 141.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.2 mp -94.0 96.84 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.75 153.86 31.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.595 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.01 7.78 80.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.431 1.082 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.89 -147.2 6.51 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 69' ' ' PHE . . . -85.64 -62.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.621 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -43.16 -27.94 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.411 ' N ' ' C ' ' A' ' 67' ' ' ALA . 12.6 t80 -48.12 -48.56 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -44.61 -72.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 73' ' ' ARG . 0.6 OUTLIER -66.01 -11.84 50.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.633 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -44.41 -21.81 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.43 ' N ' ' C ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -36.55 -31.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.314 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 72' ' ' GLY . 28.2 mt -69.56 -171.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -138.38 150.81 46.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 2.5 ptm -49.94 160.51 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 76' ' ' MET . 4.7 m-20 79.33 50.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.635 ' HB2' HD12 ' A' ' 59' ' ' ILE . 5.1 m-20 -118.28 95.88 5.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -52.95 134.41 37.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.598 ' HB3' HD12 ' A' ' 88' ' ' LEU . 6.0 mp -98.6 93.51 6.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.898 HG22 HD11 ' A' ' 89' ' ' LEU . 16.5 pt -73.42 -4.45 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 175.37 -172.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.035 HG21 HD12 ' A' ' 100' ' ' LEU . 2.6 p -176.95 123.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.19 19.56 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.24 -9.18 69.8 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -90.16 131.84 35.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.53 155.54 39.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.598 HD12 ' HB3' ' A' ' 80' ' ' LEU . 71.0 mt -124.01 -43.79 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.898 HD11 HG22 ' A' ' 81' ' ' ILE . 2.9 mt -51.39 -43.89 62.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.4 -32.16 60.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -89.35 -158.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -114.55 -172.33 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.976 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.905 ' HA ' HD11 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -68.93 -31.39 70.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 13.6 p-80 -79.86 -67.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.413 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 8.7 mt-10 -42.34 -62.82 0.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.434 ' HB1' HD22 ' A' ' 88' ' ' LEU . . . -39.89 -72.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.724 ' SD ' HG21 ' A' ' 57' ' ' ILE . 43.3 mmm -46.36 -44.99 17.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -60.27 -32.38 71.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -73.7 -38.45 64.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.37 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.035 HD12 HG21 ' A' ' 83' ' ' VAL . 8.8 tp -51.15 -71.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.421 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 0.0 OUTLIER -47.84 -23.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 106' ' ' MET . 8.6 ttt85 -78.1 -58.88 3.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 41.8 m -58.51 -14.2 7.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.692 ' CE ' HD12 ' A' ' 39' ' ' LEU . 15.2 mtt -68.82 -56.56 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.4 OUTLIER -97.61 -33.21 11.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.028 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -68.34 -54.57 16.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 103' ' ' SER . 3.8 mm-40 -85.33 -17.96 35.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 112' ' ' GLY . . . -93.6 -8.54 60.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 105' ' ' SER . 2.1 m-20 -68.32 -47.44 67.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.677 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -87.36 -32.44 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -81.2 -63.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 108' ' ' GLY . . . 111.29 14.57 11.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.557 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -168.54 -174.2 2.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 0.0 111.006 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.673 HD13 HD11 ' A' ' 39' ' ' LEU . 9.5 tt -143.36 154.78 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 83' ' ' VAL . 11.6 tt0 -120.11 147.44 44.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.442 HD23 HG23 ' A' ' 83' ' ' VAL . 28.2 mt -126.31 118.66 25.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.691 HG12 HD11 ' A' ' 81' ' ' ILE . 20.1 t -103.21 114.83 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.6 pp -109.13 161.91 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.694 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.4 tm? -125.38 131.0 53.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.819 ' O ' HD22 ' A' ' 119' ' ' LEU . 7.5 mt-10 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.585 ' OE1' HD11 ' A' ' 81' ' ' ILE . 7.2 tt0 -131.59 144.99 51.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.538 ' HB3' HD21 ' A' ' 27' ' ' LEU . 29.0 mt -139.95 130.72 25.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.501 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 17.0 m -110.49 103.31 11.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.666 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.3 mm? -108.02 119.42 39.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -94.93 141.29 28.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.7 mt -129.34 127.54 23.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.657 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.03 145.23 31.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 104' ' ' MET . 33.4 mt -124.22 38.69 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 44.5 m-80 -70.41 -63.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.24 -30.66 18.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.71 -33.44 60.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -37.57 -41.4 0.82 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -39.97 -62.12 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.3 -43.75 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 134.67 -171.46 22.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.895 HD21 ' CG2' ' A' ' 114' ' ' ILE . 19.5 mt -39.67 -66.49 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.25 40.46 1.65 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.537 HG12 ' HA ' ' A' ' 62' ' ' ILE . 3.0 m -146.7 153.13 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.959 ' C ' HD23 ' A' ' 43' ' ' LEU . 17.7 t -111.92 150.66 30.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.959 HD23 ' C ' ' A' ' 42' ' ' SER . 2.7 mt -118.44 168.19 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.504 ' NZ ' ' ND2' ' A' ' 77' ' ' ASN . 1.4 pttt -127.96 142.68 51.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.16 138.24 13.94 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -123.96 129.61 51.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -120.99 147.89 44.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.63 135.05 52.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.996 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -88.16 -38.2 15.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 75.3 p -75.86 -42.4 49.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.43 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.63 47.23 4.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.437 1.086 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.3 m -143.85 166.64 24.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 0.726 . . . . 0.0 110.426 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -89.9 103.92 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.7 mt -48.26 -45.73 34.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.15 -140.09 8.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.797 HD11 ' HA ' ' A' ' 93' ' ' ASN . 16.4 mm -120.58 146.75 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.506 ' CE2' ' HB2' ' A' ' 79' ' ' GLN . 26.5 m-85 -137.44 124.16 21.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.5 ' HA ' HD22 ' A' ' 43' ' ' LEU . 13.5 mt -40.87 145.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 76' ' ' MET . 1.3 ttmm -100.15 -53.32 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 80.0 p -174.4 157.74 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.81 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.2 mp -104.59 127.58 58.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.507 HD12 ' N ' ' A' ' 63' ' ' ILE . 4.0 mp -86.98 113.19 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -64.79 166.85 8.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.57 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.02 23.04 76.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.46 -165.08 11.48 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.81 -37.22 24.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -66.46 -36.33 82.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -39.69 -40.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -53.44 -46.87 70.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' ALA . 19.0 t0 -88.76 -13.15 40.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.81 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -40.36 -27.01 0.14 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -39.43 -28.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 110.324 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' GLY . 30.4 mt -63.76 -175.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -131.88 131.8 43.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.433 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -45.49 172.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.504 ' ND2' ' NZ ' ' A' ' 44' ' ' LYS . 1.2 m-20 69.35 24.22 5.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.454 ' O ' HD12 ' A' ' 80' ' ' LEU . 21.5 m-20 -89.47 103.08 15.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.506 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 57.7 tt0 -54.13 135.06 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.693 ' HB3' HD12 ' A' ' 88' ' ' LEU . 6.2 mp -97.93 100.13 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.83 HG22 HD11 ' A' ' 89' ' ' LEU . 14.7 pt -86.99 7.73 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 163.58 176.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.003 HG21 ' CD1' ' A' ' 100' ' ' LEU . 2.4 p -169.89 116.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 68.54 11.84 8.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.78 -14.6 56.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -82.87 132.68 35.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.75 157.5 37.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.386 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.693 HD12 ' HB3' ' A' ' 80' ' ' LEU . 93.1 mt -127.66 -45.33 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.83 HD11 HG22 ' A' ' 81' ' ' ILE . 3.3 mt -51.41 -44.1 62.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.32 -27.14 65.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -91.25 -172.45 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.52 172.39 6.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.797 ' HA ' HD11 ' A' ' 57' ' ' ILE . 19.7 m120 -56.55 -29.7 62.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -80.68 -71.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -41.65 -59.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.402 ' O ' ' HB ' ' A' ' 99' ' ' THR . . . -40.0 -71.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.1 mmm -47.53 -42.0 22.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -30.45 71.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -76.4 -39.9 52.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.4 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.003 ' CD1' HG21 ' A' ' 83' ' ' VAL . 14.4 tp -49.17 -71.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -43.74 -26.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 106' ' ' MET . 0.0 OUTLIER -78.94 -56.49 4.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 17.2 m -56.89 -13.55 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.958 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.7 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 18.9 mtt -72.2 -59.13 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 109' ' ' ASN . 21.1 m -98.49 -39.12 8.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.523 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -58.95 -42.54 90.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 103' ' ' SER . 10.0 mm-40 -98.29 -21.56 16.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 104' ' ' MET . . . -89.46 -9.56 66.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 106' ' ' MET . 6.3 p30 -66.37 -43.9 84.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.635 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -96.77 -36.01 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.41 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 2.9 tpt85 -73.18 -54.67 7.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.0 20.2 19.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.543 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 15.6 ptt? -179.36 171.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.895 ' CG2' HD21 ' A' ' 39' ' ' LEU . 15.5 tt -129.97 159.01 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.501 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 13.0 tt0 -124.1 149.43 46.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.401 ' N ' ' HG2' ' A' ' 115' ' ' GLN . 72.4 mt -128.09 121.83 30.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.546 HG12 HD11 ' A' ' 81' ' ' ILE . 3.9 t -104.82 111.52 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.1 pp -104.88 152.13 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.819 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.4 tm? -136.57 119.98 16.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.318 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.693 ' O ' HD22 ' A' ' 119' ' ' LEU . 7.4 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -125.3 139.24 53.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.244 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.4 mt -116.88 143.45 45.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.567 ' C ' HD22 ' A' ' 27' ' ' LEU . 38.3 m -121.88 112.09 17.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.693 ' HG ' HD11 ' A' ' 74' ' ' LEU . 1.6 mm? -107.65 139.14 42.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -107.97 110.62 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.474 ' CD1' HD12 ' A' ' 116' ' ' LEU . 11.9 mt -110.55 115.28 54.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.657 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -74.98 144.04 29.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.659 HD11 ' CG2' ' A' ' 114' ' ' ILE . 16.6 mt -127.51 56.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 10.3 m-80 -92.61 -62.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -84.44 -43.09 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.85 -29.33 58.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -46.39 -42.54 13.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' GLY . 25.3 t -38.32 -48.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.66 -36.8 12.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.33 -169.35 19.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.931 HD21 HG21 ' A' ' 114' ' ' ILE . 28.3 mt -48.18 -68.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.797 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.91 42.69 2.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.585 ' HA ' HD13 ' A' ' 63' ' ' ILE . 3.0 m -141.83 154.52 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.901 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -110.21 136.18 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.901 HD23 ' C ' ' A' ' 42' ' ' SER . 3.3 mt -117.39 175.72 5.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.492 ' CD ' ' HB2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -125.92 175.85 7.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.88 110.18 0.68 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -98.66 148.6 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.4 148.89 50.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.18 119.23 38.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -87.74 -33.5 18.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -21.03 43.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 p -123.57 -41.72 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.45 16.73 26.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 m -109.55 168.13 9.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.378 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.07 116.52 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.6 mt -54.56 -40.64 68.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.69 -139.3 8.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.112 . . . . 0.0 111.051 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.568 HG22 HD13 ' A' ' 80' ' ' LEU . 16.3 mm -135.05 142.37 40.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' A' ' 58' ' ' PHE . 1.3 m-85 -133.18 145.06 50.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.51 ' HA ' HD22 ' A' ' 43' ' ' LEU . 42.3 mt -63.18 146.5 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -97.19 -56.83 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.86 142.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.666 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.8 mp -84.33 137.7 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.585 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.2 mp -91.17 156.63 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.413 ' CD2' ' N ' ' A' ' 64' ' ' HIS . 0.2 OUTLIER -107.66 142.61 37.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.4 15.79 42.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -129.67 -155.57 8.49 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.34 -36.19 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 0.73 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -61.89 -42.03 98.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -38.57 -44.23 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -58.08 -48.5 79.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.537 ' OD2' HD12 ' A' ' 74' ' ' LEU . 22.2 t70 -77.02 -13.15 59.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.666 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.44 -30.06 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.122 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' ASP . 7.1 ptt180 -37.46 -31.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.693 HD11 ' HG ' ' A' ' 27' ' ' LEU . 30.7 mt -66.55 -172.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.44 ' CD ' ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -139.52 130.43 26.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.466 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.5 OUTLIER -44.11 167.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 76' ' ' MET . 2.2 m120 79.67 3.36 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.45 94.54 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -49.91 137.1 17.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.6 ' HB3' HD12 ' A' ' 88' ' ' LEU . 4.6 mp -96.78 93.25 6.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.699 ' HA ' HD21 ' A' ' 89' ' ' LEU . 16.1 pt -77.61 -1.76 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 172.74 177.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.991 HG21 HD12 ' A' ' 100' ' ' LEU . 2.1 p -169.93 119.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.05 19.46 11.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.28 -9.08 75.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -85.79 144.45 27.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.264 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.65 152.82 29.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 80' ' ' LEU . 82.9 mt -125.46 -45.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.349 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.699 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.1 mt -52.16 -48.39 64.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.56 -23.73 44.24 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -93.0 -170.21 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 0.803 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.6 m -105.56 -178.63 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.563 ' HA ' HD11 ' A' ' 57' ' ' ILE . 21.6 m120 -64.58 -28.5 69.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -84.17 -70.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.635 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 99' ' ' THR . 3.9 mt-10 -39.32 -58.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.424 ' O ' ' HB ' ' A' ' 99' ' ' THR . . . -42.6 -72.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.464 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 59.6 mmm -50.31 -33.48 20.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -70.91 -24.76 62.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -78.51 -37.14 43.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.352 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.991 HD12 HG21 ' A' ' 83' ' ' VAL . 8.1 tp -48.61 -66.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -46.99 -38.55 10.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 13.0 mmt180 -65.35 -60.89 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 26.4 m -61.82 -12.75 18.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.737 ' SD ' HD12 ' A' ' 39' ' ' LEU . 27.1 mtp -82.31 -40.31 21.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.3 OUTLIER -98.03 -37.94 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.026 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.5 -66.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 111' ' ' ARG . 16.7 mm-40 -65.27 -21.27 66.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -93.94 -9.53 59.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 105' ' ' SER . 1.5 m-20 -72.29 -38.19 68.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 0.804 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.829 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -96.11 -36.01 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.438 ' N ' HG12 ' A' ' 110' ' ' ILE . 1.1 mmp_? -78.77 -56.24 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.0 9.89 44.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.544 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 2.6 ptt? -159.78 -174.0 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.931 HG21 HD21 ' A' ' 39' ' ' LEU . 11.0 tt -145.33 151.68 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.479 ' NE2' ' CG2' ' A' ' 26' ' ' THR . 20.2 tt0 -117.43 141.08 48.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.474 HD12 ' CD1' ' A' ' 29' ' ' ILE . 61.0 mt -119.1 123.9 45.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.475 HG12 HD11 ' A' ' 81' ' ' ILE . 18.2 t -107.76 109.13 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 1.3 pp -106.82 143.31 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.2 tm? -116.9 126.88 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.77 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.565 ' HG3' HD11 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -143.08 136.47 28.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.509 ' HB2' HD11 ' A' ' 118' ' ' ILE . 34.5 mt -113.46 152.55 29.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.713 HG23 ' OE1' ' A' ' 115' ' ' GLN . 18.7 m -124.47 112.74 17.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.715 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -116.68 116.33 27.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.94 144.79 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.4 mt -135.18 121.34 14.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.803 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.95 144.67 30.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.803 HD23 ' O ' ' A' ' 30' ' ' PRO . 26.3 mt -127.88 53.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.427 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 12.4 m-80 -89.97 -61.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -87.96 -44.5 10.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.864 ' OG ' ' HB2' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -74.62 -23.26 58.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.97 -38.33 46.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -39.05 -51.29 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 0.806 . . . . 0.0 110.038 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.2 -36.06 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.76 -177.53 16.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.841 HD11 HD13 ' A' ' 114' ' ' ILE . 21.6 mt -40.54 -68.68 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.3 37.66 3.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.539 ' CG1' ' CB ' ' A' ' 68' ' ' ALA . 4.2 m -128.72 151.3 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.923 ' C ' HD23 ' A' ' 43' ' ' LEU . 1.2 t -111.02 137.14 49.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.031 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.923 HD23 ' C ' ' A' ' 42' ' ' SER . 2.6 mt -115.74 164.21 14.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.33 136.67 53.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.66 125.81 8.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -108.36 115.37 29.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 48' ' ' SER . 1.5 tmtt? -113.05 142.66 45.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.413 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -96.09 136.23 36.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -91.27 -21.73 20.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.72 -48.41 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.8 p -116.44 -31.46 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.423 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.96 19.38 15.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -177.37 5.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.783 . . . . 0.0 110.367 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.66 107.57 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.4 mt -52.82 -33.05 47.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.05 -161.92 24.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.67 HD11 ' HA ' ' A' ' 93' ' ' ASN . 29.1 mm -101.24 160.19 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 87.3 m-85 -158.8 126.05 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.489 ' HA ' HD22 ' A' ' 43' ' ' LEU . 43.6 mt -47.29 146.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.88 -49.56 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.41 150.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.948 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.698 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.7 mp -92.77 137.16 22.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 41' ' ' VAL . 2.2 mp -91.94 108.72 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -65.16 166.41 9.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.587 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.0 16.91 60.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.03 -155.42 9.41 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.864 ' HB2' ' OG ' ' A' ' 34' ' ' SER . . . -88.13 -45.24 10.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.539 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . -60.87 -33.94 73.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -38.27 -42.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -54.69 -49.58 70.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' ARG . 44.9 t0 -81.36 -12.8 58.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.698 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -38.51 -28.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' ASP . 4.1 ttp180 -36.5 -32.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.683 HD11 ' HG ' ' A' ' 27' ' ' LEU . 30.5 mt -64.06 -172.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.23 132.57 28.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER -38.87 159.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.98 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 76' ' ' MET . 1.8 m-20 77.42 49.08 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.694 ' O ' HD12 ' A' ' 80' ' ' LEU . 55.7 m-20 -112.47 97.02 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.457 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 44.1 tt0 -52.66 129.18 28.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 78' ' ' ASP . 7.0 mp -94.0 88.56 5.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.771 HD11 HG12 ' A' ' 117' ' ' VAL . 21.4 pt -66.5 -11.41 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 177.18 -175.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.966 HG21 HD12 ' A' ' 100' ' ' LEU . 2.6 p -164.84 120.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 103' ' ' SER . 2.9 m-20 58.74 24.59 12.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.03 -8.24 76.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.779 ' HG2' HG21 ' A' ' 99' ' ' THR . 0.7 OUTLIER -88.85 123.66 33.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.27 166.53 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.492 HD11 ' CG1' ' A' ' 83' ' ' VAL . 50.9 mt -141.55 -46.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.746 HD11 HG22 ' A' ' 81' ' ' ILE . 3.3 mt -49.55 -36.92 25.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.42 -26.43 71.77 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 88' ' ' LEU . 6.5 mttt -90.35 -170.77 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.519 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -102.17 -169.93 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.971 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.67 ' HA ' HD11 ' A' ' 57' ' ' ILE . 80.5 m-20 -72.87 -27.97 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.519 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 14.1 p-80 -84.95 -68.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.597 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.444 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 6.5 mt-10 -39.6 -63.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -39.71 -69.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 51.0 mmm -48.49 -31.2 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -70.29 -28.25 65.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.779 HG21 ' HG2' ' A' ' 86' ' ' GLU . 3.0 m -75.51 -46.59 31.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.966 HD12 HG21 ' A' ' 83' ' ' VAL . 9.7 tp -47.95 -68.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.44 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 24.1 ptt180 -50.4 -21.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 106' ' ' MET . 3.6 ttt85 -77.09 -55.38 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -61.28 -13.11 16.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.969 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.77 ' CE ' HD12 ' A' ' 39' ' ' LEU . 14.1 mtt -72.12 -52.43 16.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.482 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.6 OUTLIER -97.11 -28.54 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.49 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -74.81 -61.72 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 111.023 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 111' ' ' ARG . 14.3 mt-10 -77.5 -37.4 51.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.5 -9.5 55.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.0 OUTLIER -70.9 -50.08 38.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.732 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -97.9 -35.83 5.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 107' ' ' GLU . 1.7 mmt180 -71.83 -47.59 52.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.25 11.03 73.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.418 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -163.33 176.52 9.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.967 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.841 HD13 HD11 ' A' ' 39' ' ' LEU . 16.2 tt -138.28 139.69 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.713 ' OE1' HG23 ' A' ' 26' ' ' THR . 2.1 tt0 -106.37 149.62 26.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.507 ' CD2' HD11 ' A' ' 100' ' ' LEU . 35.5 mt -131.0 123.04 27.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.771 HG12 HD11 ' A' ' 81' ' ' ILE . 4.7 t -103.59 120.07 53.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.509 HD11 ' HB2' ' A' ' 25' ' ' LEU . 1.6 pp -113.09 156.13 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.77 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -127.23 121.21 30.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.1 ttm-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.871 ' O ' HD22 ' A' ' 119' ' ' LEU . 4.6 mm-40 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.486 ' HG3' HD11 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -137.21 137.79 39.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 mt -126.31 144.78 50.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.546 ' C ' HD22 ' A' ' 27' ' ' LEU . 84.9 m -125.79 109.43 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.42 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.712 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -113.76 121.25 43.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -90.7 144.73 25.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.949 HD11 ' CB ' ' A' ' 71' ' ' ASP . 43.8 mt -132.55 126.31 20.04 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.738 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -74.97 146.76 33.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.794 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.738 HD23 ' O ' ' A' ' 30' ' ' PRO . 26.0 mt -125.07 37.93 4.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 1.4 p30 -64.43 -61.99 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.8 OUTLIER -97.59 -23.18 16.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 15.4 t -75.99 -51.33 12.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.477 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -36.98 -46.93 1.26 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -39.11 -51.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.025 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.87 -41.01 9.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.93 -178.28 18.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.978 HD21 HG21 ' A' ' 114' ' ' ILE . 30.2 mt -42.56 -69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.586 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 110.29 12.56 17.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.513 ' HA ' HD13 ' A' ' 63' ' ' ILE . 2.7 m -120.93 156.81 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.946 ' C ' HD23 ' A' ' 43' ' ' LEU . 9.8 t -115.36 143.58 45.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.946 HD23 ' C ' ' A' ' 42' ' ' SER . 2.7 mt -118.5 171.0 8.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.05 142.4 50.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.28 129.99 10.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -116.11 143.31 45.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 0.762 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.44 147.46 52.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.86 128.06 56.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.025 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -85.35 -45.99 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -48.02 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 48.1 p -63.47 -42.39 98.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.15 47.44 4.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.443 1.09 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.48 HG22 ' N ' ' A' ' 54' ' ' ASP . 45.9 m -143.44 169.75 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.48 ' N ' HG22 ' A' ' 53' ' ' THR . 0.5 OUTLIER -95.79 98.52 10.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' ASP . 79.7 mt -40.44 -38.31 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.15 -149.41 19.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.539 HD11 ' HA ' ' A' ' 93' ' ' ASN . 28.6 mm -116.57 146.86 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 0.725 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 58' ' ' PHE . 6.1 m-85 -136.54 137.58 40.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.62 HD12 ' HB2' ' A' ' 78' ' ' ASP . 43.3 mt -57.64 146.62 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 76' ' ' MET . 0.6 OUTLIER -96.16 -55.36 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.89 147.84 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.638 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.5 mp -88.11 135.43 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.586 HD13 ' O ' ' A' ' 40' ' ' GLY . 3.8 mp -92.92 97.25 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.547 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -54.48 167.31 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.612 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.547 ' N ' ' CG ' ' A' ' 64' ' ' HIS . . . 66.79 19.36 69.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.52 -155.34 8.75 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.413 ' CB ' ' HB2' ' A' ' 34' ' ' SER . . . -85.88 -50.29 7.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.79 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -56.96 -33.04 66.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -38.03 -40.62 0.49 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -53.94 -50.28 66.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.949 ' CB ' HD11 ' A' ' 29' ' ' ILE . 27.9 t0 -81.85 -13.1 58.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.638 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.89 -29.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -37.11 -31.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.271 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.633 HD11 HD23 ' A' ' 27' ' ' LEU . 25.2 mt -66.96 -172.49 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -138.59 139.05 38.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.417 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -47.15 175.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 61.37 33.53 18.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.62 ' HB2' HD12 ' A' ' 59' ' ' ILE . 43.1 m-20 -99.64 92.16 5.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 37.9 tt0 -45.73 131.95 8.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.261 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.662 ' HB3' HD12 ' A' ' 88' ' ' LEU . 5.4 mp -91.79 112.69 24.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.703 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 10.9 pt -97.63 11.81 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 162.13 177.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.88 HG21 HD12 ' A' ' 100' ' ' LEU . 2.7 p -166.0 115.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 107' ' ' GLU . 0.7 OUTLIER 66.8 10.97 7.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.25 -21.82 21.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.497 ' HG2' HG21 ' A' ' 99' ' ' THR . 1.6 tt0 -80.79 134.53 35.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.788 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.91 163.95 26.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.662 HD12 ' HB3' ' A' ' 80' ' ' LEU . 96.5 mt -130.42 -45.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.521 ' N ' HD23 ' A' ' 89' ' ' LEU . 4.6 mt -46.37 -38.37 8.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.27 -37.05 93.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' LEU . 5.8 mttt -76.46 -177.18 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.534 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 1.9 m -104.75 173.69 6.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.539 ' HA ' HD11 ' A' ' 57' ' ' ILE . 25.8 m120 -49.15 -46.47 45.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 5.2 p-80 -68.1 -76.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.597 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.471 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 9.7 mt-10 -36.94 -58.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -36.16 -70.1 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 21.8 mmm -53.97 -33.4 56.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 95' ' ' GLU . 18.0 mm-40 -66.94 -40.53 87.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.497 HG21 ' HG2' ' A' ' 86' ' ' GLU . 1.3 m -59.94 -35.47 75.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.88 HD12 HG21 ' A' ' 83' ' ' VAL . 8.5 tp -56.43 -74.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -48.01 -30.31 4.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.485 ' C ' ' CD ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -63.66 -65.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -56.89 -35.44 68.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.598 ' SD ' HD12 ' A' ' 39' ' ' LEU . 29.2 mtp -57.39 -29.76 64.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.451 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 93.2 p -95.65 -41.99 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.55 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -84.44 -67.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.625 ' HA ' HD11 ' A' ' 110' ' ' ILE . 29.1 mm-40 -54.81 -23.25 17.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.427 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.07 -7.32 59.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.11 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.7 m-20 -86.3 -53.99 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.625 HD11 ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -76.03 -39.01 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -82.87 -69.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 120.05 4.66 11.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.543 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 8.1 ptp -152.62 -171.17 3.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.978 HG21 HD21 ' A' ' 39' ' ' LEU . 15.3 tt -147.18 163.61 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.479 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 10.1 tt0 -131.14 150.07 52.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 58.8 mt -127.79 126.84 42.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.501 HG12 HD11 ' A' ' 81' ' ' ILE . 3.5 t -112.33 111.01 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.4 pp -105.79 158.92 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.871 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.1 tm? -136.08 121.7 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.801 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.4 mm-40 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -125.85 146.06 49.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.1 mt -140.25 140.88 35.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.674 ' C ' HD22 ' A' ' 27' ' ' LEU . 88.6 m -122.9 113.38 19.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.422 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 26' ' ' THR . 1.0 OUTLIER -110.47 141.97 42.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.23 126.53 54.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mt -122.87 122.25 27.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.609 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.0 Cg_endo -75.07 143.46 28.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.609 HD23 ' O ' ' A' ' 30' ' ' PRO . 23.3 mt -120.31 39.87 3.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 1.4 p30 -62.47 -63.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 1.2 m-20 -97.95 -25.7 14.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -72.94 -42.84 63.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -36.19 -38.61 0.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.0 t -39.68 -64.95 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.61 -21.52 18.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 115.72 -172.22 14.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.68 HD21 ' CG2' ' A' ' 114' ' ' ILE . 16.5 mt -38.85 -70.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.64 29.33 2.48 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.753 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -122.71 158.01 27.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.889 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -113.07 128.89 56.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.889 HD23 ' C ' ' A' ' 42' ' ' SER . 2.5 mt -114.62 173.11 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.72 139.93 29.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.62 129.62 9.97 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -107.79 135.11 49.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -124.37 147.77 47.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.82 140.57 48.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.13 . . . . 0.0 110.032 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -42.79 12.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.75 -60.3 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.4 p -89.86 -12.14 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.361 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.04 30.09 66.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.2 m -121.13 167.02 13.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.384 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.47 117.21 25.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -57.48 -30.97 65.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.36 -150.7 20.1 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.487 1.117 . . . . 0.0 111.048 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.652 HD11 ' HA ' ' A' ' 93' ' ' ASN . 50.1 mm -116.81 147.69 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 6.1 m-85 -143.68 149.03 36.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.585 ' HA ' HD22 ' A' ' 43' ' ' LEU . 38.1 mt -72.82 147.11 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.2 -53.76 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.79 149.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.021 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.584 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.6 mp -89.79 142.6 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.9 mp -94.45 145.95 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.478 ' CD2' ' N ' ' A' ' 65' ' ' GLY . 7.1 t60 -98.27 156.58 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.649 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.478 ' N ' ' CD2' ' A' ' 64' ' ' HIS . . . 79.29 15.1 80.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -131.07 -154.79 7.99 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.83 -59.07 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.753 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -40.74 -44.48 2.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' ALA . 6.0 t80 -35.6 -46.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -54.14 -54.14 43.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.74 ' OD2' HD12 ' A' ' 74' ' ' LEU . 29.5 t70 -75.13 -12.89 60.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.584 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -36.56 -31.29 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 71' ' ' ASP . 6.6 ptp180 -38.21 -30.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 110.266 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.74 HD12 ' OD2' ' A' ' 71' ' ' ASP . 32.6 mt -64.61 -177.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -131.81 130.63 42.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.24 179.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 63.22 24.31 14.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.568 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -90.0 116.9 28.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -71.04 129.33 38.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 78' ' ' ASP . 7.4 mp -91.81 102.21 14.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.837 HD11 HG12 ' A' ' 117' ' ' VAL . 12.1 pt -82.34 3.87 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 163.69 177.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.953 HG21 HD12 ' A' ' 100' ' ' LEU . 2.5 p -161.65 122.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 60.31 16.01 5.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.0 -14.58 55.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -82.38 135.14 35.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.88 168.62 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 91' ' ' LYS . 24.8 mt -140.95 -47.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.691 HD11 HG22 ' A' ' 81' ' ' ILE . 2.9 mt -47.15 -39.51 13.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.2 -30.41 77.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 88' ' ' LEU . 7.4 mttt -87.7 -172.87 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.4 m -100.84 -173.76 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.652 ' HA ' HD11 ' A' ' 57' ' ' ILE . 26.8 m-20 -69.86 -28.71 65.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -85.02 -66.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.629 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.4 mt-10 -41.88 -60.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -39.62 -70.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.476 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 42.1 mmm -46.44 -38.75 9.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -30.9 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -77.44 -50.12 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.361 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.953 HD12 HG21 ' A' ' 83' ' ' VAL . 8.5 tp -40.74 -73.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.43 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 36.4 ttp85 -45.95 -54.83 7.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.23 -42.15 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -67.2 -48.53 67.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.545 ' HE1' HD12 ' A' ' 39' ' ' LEU . 11.9 mtt -46.88 -27.46 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.468 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.3 OUTLIER -97.01 -36.48 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.543 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -72.92 -57.4 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 5.0 mm-40 -71.18 -40.31 71.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.479 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -67.57 -7.23 46.26 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 105' ' ' SER . 3.7 m-20 -87.91 -66.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 0.733 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.645 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -78.16 -40.27 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -84.39 -70.97 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.479 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 109.4 8.97 26.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.542 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 2.3 mtm -143.72 165.55 27.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.68 ' CG2' HD21 ' A' ' 39' ' ' LEU . 7.1 tt -135.49 143.34 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.413 ' NE2' ' CG2' ' A' ' 26' ' ' THR . 18.8 tt0 -114.62 140.15 49.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 43.6 mt -122.1 121.12 36.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.837 HG12 HD11 ' A' ' 81' ' ' ILE . 15.9 t -101.97 113.51 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.3 pp -109.34 162.07 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.801 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.2 tm? -143.11 120.53 11.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.307 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.82 ' O ' HD22 ' A' ' 119' ' ' LEU . 8.5 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.91 142.35 44.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.7 mt -123.58 125.66 45.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.504 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 16.1 m -104.28 104.2 14.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.9 mm? -105.35 120.83 42.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -93.2 144.94 24.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.566 HD11 ' OD2' ' A' ' 71' ' ' ASP . 61.4 mt -137.56 120.36 11.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.768 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.98 147.38 33.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 30' ' ' PRO . 40.0 mt -128.48 49.79 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.45 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 27.8 m-80 -82.36 -62.34 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -87.19 -37.72 17.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.92 -28.87 60.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.03 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -43.36 -40.5 4.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' GLY . 7.7 t -38.79 -58.35 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.05 -38.39 11.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.33 -175.15 17.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.102 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.734 HD21 ' CG2' ' A' ' 114' ' ' ILE . 26.8 mt -41.19 -69.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.84 53.52 1.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.446 1.092 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.466 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -142.31 155.75 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.932 ' C ' HD23 ' A' ' 43' ' ' LEU . 2.5 t -115.69 135.58 53.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.932 HD23 ' C ' ' A' ' 42' ' ' SER . 2.6 mt -117.01 179.09 4.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -139.1 140.04 37.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.79 127.17 9.16 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -113.67 134.67 54.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -118.88 147.6 43.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.52 136.19 53.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.75 -39.55 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -45.93 -66.28 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.2 p -70.06 -24.86 63.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.01 22.45 63.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.663 HG23 ' N ' ' A' ' 54' ' ' ASP . 1.6 t -126.15 -162.45 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 110.44 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.663 ' N ' HG23 ' A' ' 53' ' ' THR . 0.4 OUTLIER -111.88 124.67 52.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.8 mt -54.13 -46.87 72.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.51 -140.44 9.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.603 HD11 ' HA ' ' A' ' 93' ' ' ASN . 19.7 mm -128.06 145.43 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.472 ' CD1' ' N ' ' A' ' 58' ' ' PHE . 5.1 m-85 -136.72 140.0 42.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.488 ' HA ' HD22 ' A' ' 43' ' ' LEU . 35.1 mt -65.57 146.54 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.04 -53.87 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.15 155.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.599 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.8 mp -94.4 138.85 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.8 mp -93.56 137.01 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -89.35 151.22 22.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.553 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.68 15.86 62.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.5 -161.25 9.9 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.35 -46.25 14.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.466 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -50.13 -44.19 52.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' ALA . 4.3 t80 -36.34 -44.12 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -56.29 -53.59 55.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.672 ' OD2' HD12 ' A' ' 74' ' ' LEU . 26.2 t0 -75.09 -13.13 60.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.599 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.06 -31.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' ASP . 5.4 ptt180 -38.75 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.672 HD12 ' OD2' ' A' ' 71' ' ' ASP . 27.4 mt -63.12 179.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.63 120.2 24.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -42.86 166.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 111.043 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 76' ' ' MET . 2.0 m120 82.01 -1.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.58 123.96 20.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -74.39 132.55 42.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.637 ' HB3' HD12 ' A' ' 88' ' ' LEU . 7.1 mp -92.82 123.35 36.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.754 ' HA ' HD21 ' A' ' 89' ' ' LEU . 18.6 pt -113.39 7.62 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 165.52 171.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.906 HG21 HD12 ' A' ' 100' ' ' LEU . 4.0 p -164.28 119.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' A' ' 107' ' ' GLU . 1.0 OUTLIER 60.18 26.56 15.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.46 -2.19 82.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.428 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 17.5 mm-40 -84.09 162.55 20.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.55 139.57 41.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 80' ' ' LEU . 68.0 mt -115.93 -38.37 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.754 HD21 ' HA ' ' A' ' 81' ' ' ILE . 4.7 mt -55.87 -38.0 69.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.34 -23.58 74.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -95.85 -173.27 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -102.19 -178.56 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.138 . . . . 0.0 110.004 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.603 ' HA ' HD11 ' A' ' 57' ' ' ILE . 25.7 m120 -60.16 -38.49 83.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 9.0 p-80 -76.35 -73.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.649 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.468 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 11.3 mt-10 -37.15 -58.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -39.85 -72.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 96' ' ' ALA . 37.1 mmm -36.62 -50.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 1.1 mm-40 -53.43 -52.9 57.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -50.04 -23.01 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.906 HD12 HG21 ' A' ' 83' ' ' VAL . 11.9 tp -68.89 -73.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -51.63 -21.32 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 5.9 mmt180 -69.64 -67.26 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.5 m -49.16 -29.37 5.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.711 ' CE ' HD12 ' A' ' 39' ' ' LEU . 13.1 mtt -60.28 -44.2 95.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.446 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.4 OUTLIER -92.71 -16.09 25.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.03 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -58.46 2.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.567 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 5.4 mm-40 -74.48 -29.39 61.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.47 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -68.78 -6.98 53.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 105' ' ' SER . 10.4 m-20 -89.15 -67.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.596 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -75.98 -39.96 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.567 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.9 OUTLIER -86.51 -70.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.47 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 109.42 21.15 7.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.525 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 11.3 ptm -164.29 174.96 10.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.734 ' CG2' HD21 ' A' ' 39' ' ' LEU . 14.9 tt -137.96 158.02 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.504 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 9.1 tt0 -124.15 152.19 43.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.0 mt -126.8 130.66 50.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.531 HG12 HD11 ' A' ' 81' ' ' ILE . 3.6 t -114.9 112.36 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -111.29 156.69 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.82 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -122.98 129.34 51.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.5 ' N ' HD13 ' A' ' 119' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.774 ' O ' HD22 ' A' ' 119' ' ' LEU . 4.0 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -123.24 138.78 54.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.486 ' HB2' HD11 ' A' ' 118' ' ' ILE . 24.8 mt -123.2 114.98 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.727 ' C ' HD22 ' A' ' 27' ' ' LEU . 91.6 m -99.26 112.07 24.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.727 HD22 ' C ' ' A' ' 26' ' ' THR . 0.9 OUTLIER -113.03 137.96 50.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -114.02 124.7 52.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.4 mt -115.61 127.51 26.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.596 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.1 Cg_endo -74.99 143.85 29.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 30' ' ' PRO . 14.3 mt -119.02 35.92 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 65.6 m-80 -65.71 -62.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -96.52 -28.28 14.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -75.78 -30.4 59.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.14 -35.11 6.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.9 p -39.22 -69.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.037 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.34 -12.99 26.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.86 -174.64 18.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.691 HD12 ' CE ' ' A' ' 104' ' ' MET . 20.4 mt -40.46 -66.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 0.78 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.06 34.1 2.23 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.605 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -123.53 158.88 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.776 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.985 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -123.38 137.35 54.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.985 HD23 ' C ' ' A' ' 42' ' ' SER . 2.2 mt -118.79 160.22 22.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.42 136.41 50.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.85 134.35 13.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -116.7 118.92 33.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.99 149.92 34.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.57 140.38 49.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.988 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.21 -26.76 18.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -45.21 84.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.2 p -108.31 -9.5 15.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.04 28.73 58.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 54' ' ' ASP . 54.2 m -112.85 169.48 8.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.382 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.458 ' N ' HG22 ' A' ' 53' ' ' THR . 25.0 m-20 -96.36 111.6 23.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.93 -39.44 81.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.25 -149.22 20.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.587 HD11 ' HA ' ' A' ' 93' ' ' ASN . 50.1 mm -106.69 153.41 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 37.0 m-85 -146.01 142.99 29.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.59 ' HA ' HD22 ' A' ' 43' ' ' LEU . 27.1 mt -58.86 146.24 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 42' ' ' SER . 13.2 tttt -102.54 -50.6 3.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.441 ' HA ' ' CG ' ' A' ' 76' ' ' MET . 54.8 p 176.65 127.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.791 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.1 mp -70.03 132.55 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.1 mp -83.06 99.91 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -61.85 170.16 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.606 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.585 ' N ' ' CG ' ' A' ' 64' ' ' HIS . . . 54.85 24.62 34.4 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.25 -144.91 5.94 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.88 -62.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.605 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -49.87 -34.12 19.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' ALA . 10.9 t80 -34.79 -39.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -54.7 -72.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 73' ' ' ARG . 10.1 t70 -67.07 -12.56 60.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.791 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -41.55 -25.31 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.436 ' N ' ' C ' ' A' ' 71' ' ' ASP . 8.0 ptm180 -38.45 -28.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 72' ' ' GLY . 25.9 mt -58.17 173.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 76' ' ' MET . 6.7 mtt180 -118.42 129.16 55.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.441 ' CG ' ' HA ' ' A' ' 61' ' ' SER . 2.6 mtm -45.5 174.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 68.28 35.5 3.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.644 ' OD2' HG22 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -98.56 122.85 42.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -81.66 114.08 20.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.625 ' HB3' HD12 ' A' ' 88' ' ' LEU . 5.9 mp -71.02 106.4 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.654 ' HA ' HD21 ' A' ' 89' ' ' LEU . 21.5 pt -90.96 3.5 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 166.88 168.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.029 HG21 HD12 ' A' ' 100' ' ' LEU . 3.5 p -160.92 125.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 59.39 17.41 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.63 -13.25 64.23 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.427 1.079 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.493 ' OE1' HG23 ' A' ' 99' ' ' THR . 25.1 tt0 -84.5 135.22 34.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.06 163.07 26.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.625 HD12 ' HB3' ' A' ' 80' ' ' LEU . 83.5 mt -133.15 -46.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.654 HD21 ' HA ' ' A' ' 81' ' ' ILE . 2.9 mt -48.19 -40.79 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.71 -28.3 72.37 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' LEU . 9.1 mttm -90.75 -173.87 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.58 174.37 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.023 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.587 ' HA ' HD11 ' A' ' 57' ' ' ILE . 12.4 m120 -53.94 -40.41 66.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -71.14 -72.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.595 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -40.17 -60.26 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -40.45 -72.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.0 mmm -43.81 -49.46 8.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -56.75 -34.48 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.493 HG23 ' OE1' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -74.7 -27.99 60.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.029 HD12 HG21 ' A' ' 83' ' ' VAL . 10.2 tp -65.27 -71.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -53.75 -19.09 3.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 106' ' ' MET . 0.0 OUTLIER -77.75 -53.59 7.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.453 ' CA ' ' HB2' ' A' ' 107' ' ' GLU . 27.5 m -63.3 -12.17 27.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.691 ' CE ' HD12 ' A' ' 39' ' ' LEU . 22.3 mtt -71.67 -53.07 14.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.456 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.5 OUTLIER -97.42 -29.93 13.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.517 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -75.69 -58.23 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.453 ' HB2' ' CA ' ' A' ' 103' ' ' SER . 16.1 mt-10 -80.47 -20.22 44.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.11 -8.71 64.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.4 m-20 -69.56 -51.89 31.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 0.737 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.632 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -82.05 -34.67 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -79.0 -66.82 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.38 11.93 10.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.12 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.518 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 1.5 ptm -167.1 178.74 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.651 ' CG2' HD21 ' A' ' 39' ' ' LEU . 12.9 tt -138.36 150.64 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.593 ' OE1' HG22 ' A' ' 26' ' ' THR . 19.5 tt0 -116.97 151.79 35.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 81.2 mt -131.23 132.87 44.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.606 HG12 HD11 ' A' ' 81' ' ' ILE . 10.4 t -112.35 108.47 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.644 HG22 ' OD2' ' A' ' 78' ' ' ASP . 1.6 pp -103.74 148.71 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.774 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.2 tm? -122.47 134.25 54.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.616 ' N ' HD13 ' A' ' 119' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.698 ' O ' HD22 ' A' ' 119' ' ' LEU . 5.1 mm-40 . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.484 ' NE2' HD11 ' A' ' 81' ' ' ILE . 4.8 tt0 -113.75 142.63 45.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.241 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.515 ' HB3' HD21 ' A' ' 27' ' ' LEU . 53.2 mt -132.55 129.94 39.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.588 ' C ' HD22 ' A' ' 27' ' ' LEU . 61.3 m -114.23 108.31 16.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.735 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -115.91 125.65 52.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -89.86 147.04 24.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.263 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.647 HD11 ' OD2' ' A' ' 71' ' ' ASP . 68.9 mt -139.29 114.61 8.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.554 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -75.02 133.0 16.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' A' ' 39' ' ' LEU . 16.6 mt -111.89 52.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.411 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 69.4 m-80 -78.19 -63.18 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.97 -31.53 14.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -37.68 60.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.481 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -49.18 -37.61 24.18 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -38.76 -67.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 0.72 . . . . 0.0 109.964 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.99 -33.78 19.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 136.85 175.8 14.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.805 HD12 ' SD ' ' A' ' 104' ' ' MET . 20.2 mt -40.31 -70.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.5 47.2 0.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.62 ' HA ' HD13 ' A' ' 63' ' ' ILE . 4.4 m -136.68 149.07 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.519 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -102.85 123.05 45.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.624 HD22 ' HA ' ' A' ' 59' ' ' ILE . 13.8 mt -111.59 179.28 4.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -150.99 136.22 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.65 140.71 15.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -130.88 137.96 49.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.322 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.56 152.65 51.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.39 134.41 54.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.22 -47.43 7.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.62 -68.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.4 p -62.76 -42.66 99.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.24 37.61 5.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.41 167.72 21.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 110.413 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -93.84 109.48 21.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' ASP . 91.7 mt -40.22 -44.03 1.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.536 ' O ' ' CZ ' ' A' ' 58' ' ' PHE . . . 129.08 149.86 6.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' A' ' 93' ' ' ASN . 51.9 mm -55.55 148.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 57' ' ' ILE . 18.9 m-85 -144.01 126.49 15.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.666 HD12 ' HB2' ' A' ' 78' ' ' ASP . 50.1 mt -61.59 147.02 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.1 tttp -95.27 -55.83 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -175.31 159.73 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.619 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.7 mp -100.02 139.39 21.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.62 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.4 mp -93.38 111.95 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -65.13 -177.42 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.601 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.24 29.49 3.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.8 -151.74 5.93 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.05 -63.62 1.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 0.756 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.565 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . -44.88 -31.96 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -42.5 -40.59 2.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -57.33 -42.63 82.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.647 ' OD2' HD11 ' A' ' 29' ' ' ILE . 5.5 t0 -88.12 -12.42 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.619 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -36.51 -30.9 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -38.98 -29.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' GLY . 30.6 mt -64.47 -178.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -133.37 126.59 31.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.409 ' O ' ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -42.0 165.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 76' ' ' MET . 5.4 m-20 75.71 17.02 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.666 ' HB2' HD12 ' A' ' 59' ' ' ILE . 5.0 m-20 -79.41 115.79 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -70.63 115.76 10.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 78' ' ' ASP . 7.8 mp -82.32 92.3 6.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.801 HD11 HG12 ' A' ' 117' ' ' VAL . 5.4 pt -71.4 -41.28 73.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.681 ' HB1' ' O ' ' A' ' 86' ' ' GLU . . . -144.14 174.15 11.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.134 HG21 HD12 ' A' ' 100' ' ' LEU . 1.9 p -159.47 122.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.56 16.12 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.13 -18.25 42.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.681 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 53.3 mm-40 -65.73 159.33 25.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -106.98 127.77 53.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.348 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 80' ' ' LEU . 35.6 mt -103.62 -19.75 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.595 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.9 mt -55.34 -67.68 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.85 -23.63 5.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -91.34 -176.3 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -116.57 -155.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.974 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.719 ' HA ' HD11 ' A' ' 57' ' ' ILE . 6.6 m120 -71.12 -60.58 2.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -53.89 -69.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.606 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.6 mt-10 -38.15 -68.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -39.12 -68.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.6 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 11.6 mmt -47.75 -42.99 26.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.494 ' OE2' ' CZ ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -61.09 -30.85 70.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -77.41 -43.19 33.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.134 HD12 HG21 ' A' ' 83' ' ' VAL . 8.1 tp -52.77 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.86 -27.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.494 ' CZ ' ' OE2' ' A' ' 98' ' ' GLU . 2.0 ttp180 -67.44 -61.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 107' ' ' GLU . 17.2 m -52.92 -33.0 48.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.805 ' SD ' HD12 ' A' ' 39' ' ' LEU . 16.8 mtt -57.52 -38.01 73.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.474 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 2.4 m -97.0 -26.6 14.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.63 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -87.18 -68.52 0.74 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.634 ' HA ' HD11 ' A' ' 110' ' ' ILE . 23.5 mm-40 -58.66 -23.05 58.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.321 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.475 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -89.89 -7.08 68.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.163 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.9 m-20 -89.84 -55.96 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.68 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -78.87 -40.86 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.6 OUTLIER -94.04 -73.85 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.475 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 117.64 13.44 7.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.554 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 2.7 mtp -142.85 166.85 23.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.474 ' CG2' HD21 ' A' ' 39' ' ' LEU . 18.2 tt -146.06 138.1 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.426 ' CD ' HG23 ' A' ' 26' ' ' THR . 15.4 tt0 -108.72 145.83 34.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.2 mt -123.76 121.1 34.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.801 HG12 HD11 ' A' ' 81' ' ' ILE . 45.6 t -104.65 111.82 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 109.316 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.417 HD11 HD12 ' A' ' 25' ' ' LEU . 1.5 pp -105.74 154.43 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.698 HD22 ' O ' ' A' ' 23' ' ' GLU . 2.9 tm? -137.14 118.97 15.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.724 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -145.66 143.93 30.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.42 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 53.3 mt -128.35 122.57 31.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.58 HG23 HG22 ' A' ' 117' ' ' VAL . 6.5 m -107.92 111.23 23.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.724 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -113.45 126.58 55.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 4.8 mp0 -101.02 145.14 29.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.746 HD11 ' HB3' ' A' ' 71' ' ' ASP . 54.0 mt -133.94 130.83 20.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.674 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.2 Cg_endo -74.99 148.53 35.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.674 HD23 ' O ' ' A' ' 30' ' ' PRO . 29.6 mt -123.57 35.38 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.438 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 1.3 p30 -60.18 -63.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -97.01 -27.38 14.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 t -73.32 -32.55 64.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.39 -34.52 6.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.24 -58.67 2.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.12 -45.87 7.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.35 -152.54 24.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.749 HD21 ' CG2' ' A' ' 114' ' ' ILE . 19.2 mt -58.69 -66.42 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 0.763 . . . . 0.0 109.374 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.79 29.73 4.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.796 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.3 m -126.76 153.21 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.751 . . . . 0.0 109.357 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.518 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -103.08 128.03 50.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.742 HD22 ' HA ' ' A' ' 59' ' ' ILE . 13.2 mt -114.91 -179.93 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.87 143.84 22.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.77 131.64 10.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.612 ' HB3' HD12 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -114.58 151.61 33.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -136.22 150.02 48.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.07 123.94 43.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -91.11 -28.32 17.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -52.02 67.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 p -86.89 -22.68 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.76 19.11 76.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.0 m -118.16 163.46 16.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.3 108.21 20.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.612 HD12 ' HB3' ' A' ' 46' ' ' ASN . 91.3 mt -41.53 -47.62 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.426 ' O ' HD13 ' A' ' 57' ' ' ILE . . . 135.06 -142.15 13.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.702 HG22 HD13 ' A' ' 80' ' ' LEU . 34.6 mm -117.49 151.19 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 30.9 m-85 -150.74 143.15 24.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.742 ' HA ' HD22 ' A' ' 43' ' ' LEU . 23.4 mt -67.17 149.55 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 76' ' ' MET . 12.6 tttt -105.21 -47.17 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.2 p 179.64 154.43 0.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.539 ' HA ' HG12 ' A' ' 41' ' ' VAL . 3.5 mp -96.92 139.16 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.0 mp -90.41 103.33 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -58.15 -173.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.621 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 41.32 35.98 1.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -141.79 -150.23 5.33 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.8 -64.09 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 0.809 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.796 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -47.4 -32.92 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 68' ' ' ALA . 2.6 t80 -36.06 -39.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -53.67 -71.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.746 ' HB3' HD11 ' A' ' 29' ' ' ILE . 8.4 t0 -66.13 -11.55 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.521 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -38.56 -27.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -36.71 -30.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.774 . . . . 0.0 110.349 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.9 mt -59.27 -174.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.46 127.96 21.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.523 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -43.29 167.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.96 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 76' ' ' MET . 3.2 m120 83.7 -5.25 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.437 ' OD2' HD22 ' A' ' 74' ' ' LEU . 8.2 m-20 -70.95 94.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -50.97 139.45 17.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.702 HD13 HG22 ' A' ' 57' ' ' ILE . 2.1 mp -93.23 104.94 17.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.628 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 30.6 pt -91.81 8.09 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 168.41 171.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.899 HG21 HD12 ' A' ' 100' ' ' LEU . 2.8 p -163.0 125.13 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.454 ' ND2' ' CB ' ' A' ' 107' ' ' GLU . 0.8 OUTLIER 55.28 26.14 8.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.14 -10.19 74.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 83' ' ' VAL . 35.0 tt0 -86.27 140.77 29.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.13 157.93 36.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.422 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.562 HD12 ' HB3' ' A' ' 80' ' ' LEU . 34.9 mt -128.66 -49.88 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.613 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.8 mt -47.92 -47.57 32.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.95 -32.27 56.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -84.46 -167.61 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 0.808 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.08 -168.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.481 ' HA ' HD11 ' A' ' 57' ' ' ILE . 33.3 m120 -72.04 -30.36 65.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -82.07 -69.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.573 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' THR . 4.2 mt-10 -39.68 -59.81 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -41.59 -72.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.643 ' CE ' HG23 ' A' ' 57' ' ' ILE . 15.2 mmt -49.09 -33.76 12.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -28.0 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -75.63 -41.75 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.386 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.899 HD12 HG21 ' A' ' 83' ' ' VAL . 8.9 tp -43.06 -72.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -48.7 -36.97 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -55.97 -54.86 39.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 107' ' ' GLU . 1.9 m -65.59 -38.73 90.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.632 ' SD ' HD12 ' A' ' 39' ' ' LEU . 20.3 mtp -60.45 -25.47 66.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.45 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.5 OUTLIER -96.83 -32.73 11.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.647 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -92.65 -68.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.684 ' HA ' HD11 ' A' ' 110' ' ' ILE . 3.2 mm-40 -54.3 -18.78 4.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.447 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.46 -5.79 60.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 105' ' ' SER . 4.0 m-20 -93.15 -56.63 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.684 HD11 ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -74.98 -40.93 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -87.76 -71.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 121.15 9.72 7.16 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.453 1.096 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.433 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 5.4 ptm -156.02 173.12 17.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 0.815 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.749 ' CG2' HD21 ' A' ' 39' ' ' LEU . 3.9 tt -133.52 148.44 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.567 ' OE1' HG21 ' A' ' 26' ' ' THR . 0.0 OUTLIER -111.34 147.18 35.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.5 mt -131.13 129.41 41.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.592 HG12 HD11 ' A' ' 81' ' ' ILE . 3.7 t -113.08 118.41 57.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -111.51 156.71 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.724 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.4 tm? -123.55 124.5 42.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.5 ttp85 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.805 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.5 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.1 143.81 48.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.6 mt -126.01 147.97 49.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.569 ' C ' HD22 ' A' ' 27' ' ' LEU . 86.8 m -133.08 112.68 11.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.729 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -114.68 124.74 52.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -88.02 142.73 27.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.652 HG21 ' CD2' ' A' ' 39' ' ' LEU . 55.8 mt -132.76 127.21 20.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.648 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.01 138.15 22.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 30' ' ' PRO . 10.7 mt -118.31 36.36 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 1.3 p30 -62.22 -63.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -97.12 -29.03 13.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.6 OUTLIER -72.46 -36.09 68.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.427 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -45.06 -34.63 4.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m -39.83 -70.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.78 -12.14 27.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' SER . . . 112.81 -173.47 15.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.652 ' CD2' HG21 ' A' ' 29' ' ' ILE . 16.2 mt -40.45 -64.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.489 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 107.44 38.77 2.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.566 ' HA ' HD13 ' A' ' 63' ' ' ILE . 3.9 m -138.3 150.02 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.935 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -100.92 146.58 27.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.935 HD23 ' C ' ' A' ' 42' ' ' SER . 3.5 mt -121.03 168.75 11.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.23 152.37 44.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.4 131.22 9.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -113.04 132.64 55.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 0.797 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.79 148.24 43.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.58 137.72 54.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -90.93 -36.94 13.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -53.36 -56.33 17.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.7 p -77.24 -32.53 55.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.21 44.6 17.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.576 1.172 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.7 t -149.12 -167.21 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 110.398 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.41 109.29 21.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.5 mt -47.26 -47.8 24.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.07 -159.82 28.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.458 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 29.8 mm -114.05 143.03 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.756 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 58' ' ' PHE . 2.8 m-85 -138.46 132.47 31.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.537 HD12 ' HB2' ' A' ' 78' ' ' ASP . 70.6 mt -50.56 146.76 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 76' ' ' MET . 1.2 tttt -100.06 -51.11 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.26 154.71 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.726 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.7 mp -99.49 138.97 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.566 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.7 mp -94.42 110.1 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -63.49 176.97 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 109.585 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 52.66 27.01 26.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.57 -155.53 7.51 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.34 -58.48 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -49.56 -35.78 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -38.27 -41.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -52.96 -50.53 63.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.569 ' CB ' HD11 ' A' ' 29' ' ' ILE . 25.9 t0 -84.27 -13.24 53.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.726 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -36.81 -30.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' ASP . 12.5 ptm180 -38.13 -30.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' GLY . 24.5 mt -63.51 -178.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 76' ' ' MET . 2.8 mmm180 -131.52 130.1 41.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -42.93 167.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 76' ' ' MET . 4.4 m-20 82.85 0.21 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.581 ' O ' HD12 ' A' ' 80' ' ' LEU . 40.6 m-20 -65.56 101.03 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.54 130.7 47.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.604 ' HB3' HD12 ' A' ' 88' ' ' LEU . 7.1 mp -91.53 106.34 18.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.648 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 18.1 pt -89.61 2.75 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 166.24 -173.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.689 HG21 HD12 ' A' ' 100' ' ' LEU . 2.6 p -169.3 121.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 103' ' ' SER . 2.1 m-20 56.95 23.11 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.17 -11.93 65.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.474 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 45.6 tt0 -81.32 142.3 33.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.1 160.93 23.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.433 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.604 HD12 ' HB3' ' A' ' 80' ' ' LEU . 96.4 mt -134.47 -46.69 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.611 ' N ' HD23 ' A' ' 89' ' ' LEU . 3.0 mt -48.71 -38.3 21.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.58 -33.01 85.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -79.25 -175.03 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 75.0 m -102.89 172.05 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.426 ' HA ' HD11 ' A' ' 57' ' ' ILE . 26.4 m120 -52.57 -32.48 41.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 95' ' ' GLU . 86.4 t60 -81.04 -75.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.623 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' GLU . 10.2 mt-10 -37.88 -52.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.95 -67.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 40.6 mmm -55.9 -27.4 51.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 95' ' ' GLU . 7.7 mm-40 -73.1 -39.74 65.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -59.36 -30.26 68.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.689 HD12 HG21 ' A' ' 83' ' ' VAL . 11.1 tp -60.58 -71.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -44.15 -32.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 8.5 mmt-85 -65.1 -58.21 6.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.414 ' HB3' ' ND2' ' A' ' 84' ' ' ASN . 1.3 m -54.07 -31.85 52.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.537 ' CG ' HD12 ' A' ' 114' ' ' ILE . 23.8 mtt -63.48 -51.54 65.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.449 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 1.7 m -73.21 -20.59 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -59.35 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 9.9 mm-40 -73.48 -40.28 64.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.418 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -67.17 -7.57 45.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.5 m-20 -81.45 -58.9 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.787 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -96.74 -43.66 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.557 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -70.78 -71.93 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.418 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 109.64 7.98 27.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.555 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -140.93 -179.46 6.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.537 HD12 ' CG ' ' A' ' 104' ' ' MET . 17.1 tt -148.48 136.42 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 83' ' ' VAL . 11.1 tt0 -105.64 141.77 36.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.0 mt -124.68 117.72 24.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.571 HG12 HD11 ' A' ' 81' ' ' ILE . 3.4 t -97.14 122.02 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.6 pp -115.36 164.48 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.805 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -132.6 127.52 35.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.688 ' O ' HD22 ' A' ' 119' ' ' LEU . 8.5 mm-40 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.506 ' HG3' HD11 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -129.64 142.25 50.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.442 ' HB3' HD21 ' A' ' 27' ' ' LEU . 26.7 mt -129.81 126.11 37.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.691 ' C ' HD22 ' A' ' 27' ' ' LEU . 28.7 m -98.73 110.22 22.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.691 HD22 ' C ' ' A' ' 26' ' ' THR . 0.7 OUTLIER -109.88 125.92 53.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -105.72 116.23 31.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 29' ' ' ILE . 15.6 mm -110.91 126.21 29.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.496 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -74.98 142.14 27.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 39.2 mt -116.85 38.1 3.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -59.37 -63.39 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.56 -21.65 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' GLY . 2.5 t -74.51 -52.12 12.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.473 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -36.4 -44.93 0.9 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.51 -54.08 2.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.09 -38.16 11.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.12 -166.21 22.82 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.94 HD21 HG21 ' A' ' 114' ' ' ILE . 26.5 mt -58.18 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.22 37.49 3.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 62' ' ' ILE . 2.4 m -140.4 155.67 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.907 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -114.69 141.63 47.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.97 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.907 HD23 ' C ' ' A' ' 42' ' ' SER . 3.7 mt -119.23 169.64 9.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.94 136.88 46.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.47 129.87 10.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.418 ' HB3' HD12 ' A' ' 55' ' ' LEU . 1.1 t-20 -115.47 138.98 50.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 tttt -126.15 149.26 49.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.6 131.9 54.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.052 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -51.76 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -41.4 -57.6 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.9 p -80.44 -45.5 17.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.63 4.45 60.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.095 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 m -100.48 160.85 14.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.358 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.53 117.58 22.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' A' ' 46' ' ' ASN . 94.9 mt -54.37 -38.33 65.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.61 -147.81 19.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 93' ' ' ASN . 33.4 mm -117.26 136.17 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 78' ' ' ASP . 7.3 m-85 -126.17 126.66 44.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.509 ' HA ' HD22 ' A' ' 43' ' ' LEU . 17.9 mt -53.01 147.87 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.67 -57.05 2.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 p -178.57 148.84 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.601 ' HA ' HG12 ' A' ' 41' ' ' VAL . 2.2 mp -90.76 132.79 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.8 mp -86.63 147.84 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.91 176.25 6.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.75 24.45 60.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.57 -159.16 8.27 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.69 -55.18 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.779 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -47.05 -38.95 11.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -38.88 -47.44 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -56.59 -46.11 81.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 68' ' ' ALA . 2.3 t0 -77.7 -12.89 60.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.493 ' HA2' HG21 ' A' ' 62' ' ' ILE . . . -39.2 -27.82 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -39.22 -28.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.316 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 72' ' ' GLY . 21.8 mt -66.47 175.26 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -121.58 126.07 48.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -178.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 66.57 17.67 10.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.604 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -78.89 -158.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -145.2 108.82 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.572 ' HB3' HD12 ' A' ' 88' ' ' LEU . 6.5 mp -67.41 118.61 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.736 HD11 HG12 ' A' ' 117' ' ' VAL . 25.9 pt -106.38 5.64 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 164.64 174.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.752 HG21 HD12 ' A' ' 100' ' ' LEU . 2.5 p -163.5 119.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.402 ' ND2' ' HB3' ' A' ' 107' ' ' GLU . 0.6 OUTLIER 66.2 17.03 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.89 -13.44 62.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -82.18 143.11 31.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.28 159.11 30.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.572 HD12 ' HB3' ' A' ' 80' ' ' LEU . 55.9 mt -130.7 -45.85 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.642 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.4 mt -50.18 -40.04 45.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.58 -22.51 63.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.105 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -93.76 -164.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 3.9 m -111.69 -176.37 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.526 ' HA ' HD11 ' A' ' 57' ' ' ILE . 97.6 m-20 -65.73 -22.28 66.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 4.8 p-80 -93.59 -74.03 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.634 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 94' ' ' HIS . 11.2 mt-10 -35.31 -45.69 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.89 -70.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 50.5 mmm -41.8 -36.94 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.18 -47.53 73.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 m -53.84 -33.3 55.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.752 HD12 HG21 ' A' ' 83' ' ' VAL . 8.8 tp -55.93 -73.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -50.03 -38.18 36.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -52.85 58.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.2 OUTLIER -68.33 -39.48 81.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.597 ' SD ' HD12 ' A' ' 39' ' ' LEU . 15.6 mtp -58.87 -26.17 63.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.8 p -95.67 -42.43 8.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.607 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -88.51 -67.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.677 ' HA ' HD11 ' A' ' 110' ' ' ILE . 4.7 mm-40 -54.31 -21.04 8.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.236 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.434 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.79 -6.37 59.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -89.68 -54.34 4.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.677 HD11 ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -76.08 -40.3 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -84.5 -71.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 119.51 8.4 9.2 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.496 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 1.1 ptt? -156.92 174.44 15.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 0.794 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.94 HG21 HD21 ' A' ' 39' ' ' LEU . 11.6 tt -137.02 147.85 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.501 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 6.6 tt0 -111.52 140.2 46.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 15.5 mt -121.58 119.01 30.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.736 HG12 HD11 ' A' ' 81' ' ' ILE . 21.1 t -102.87 112.25 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 1.2 pp -108.64 150.17 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.688 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.1 tm? -123.03 129.3 51.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.694 ' O ' HD22 ' A' ' 119' ' ' LEU . 8.6 mm-40 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.82 141.03 52.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.6 mt -135.7 119.49 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.608 HG23 HG22 ' A' ' 117' ' ' VAL . 1.9 m -101.11 107.31 18.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.627 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.5 mm? -109.93 128.61 55.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.09 143.09 34.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' ' 71' ' ' ASP . 7.7 mm -135.84 133.34 19.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.666 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.2 Cg_endo -75.02 149.6 36.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.568 1.825 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.78 HD11 ' CG2' ' A' ' 114' ' ' ILE . 24.5 mt -130.65 53.66 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.432 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 22.7 m-80 -87.15 -57.64 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.39 -40.18 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -28.36 59.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -46.84 -39.38 11.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' GLY . 2.5 m -38.78 -56.89 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.02 -25.77 17.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 117.6 -171.2 13.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.924 HD21 ' CG2' ' A' ' 114' ' ' ILE . 24.7 mt -39.06 -68.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 106.78 44.13 1.34 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.552 ' HA ' HD13 ' A' ' 63' ' ' ILE . 2.4 m -143.5 157.5 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 0.728 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.95 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -112.02 140.08 46.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.987 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.95 HD23 ' C ' ' A' ' 42' ' ' SER . 2.9 mt -118.98 175.51 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HE2' ' ND2' ' A' ' 77' ' ' ASN . 33.5 pttt -135.97 139.28 43.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.44 117.9 6.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -101.87 134.93 44.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -132.36 148.28 52.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.91 137.36 51.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -89.93 -36.48 14.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.243 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.99 -56.52 21.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.7 p -78.42 -23.36 46.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.68 41.73 98.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.1 m -141.44 159.66 41.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.756 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.44 113.99 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 61.5 mt -58.46 -36.76 74.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.8 -165.87 24.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.749 HD11 ' HA ' ' A' ' 93' ' ' ASN . 30.0 mm -104.8 146.32 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -137.27 140.55 41.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.499 ' HA ' HD22 ' A' ' 43' ' ' LEU . 39.2 mt -65.42 146.9 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.06 -56.29 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 p -177.74 147.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.612 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.6 mp -86.5 137.62 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.552 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.6 mp -89.47 101.82 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.513 ' CD2' ' N ' ' A' ' 65' ' ' GLY . 7.1 t60 -64.97 155.33 34.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.587 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.513 ' N ' ' CD2' ' A' ' 64' ' ' HIS . . . 81.49 11.98 82.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.133 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.88 -150.54 7.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.48 -64.73 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' GLY . . . -42.17 -34.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.475 ' CE1' ' ND1' ' A' ' 64' ' ' HIS . 6.8 t80 -38.11 -48.46 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -47.77 -71.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.609 ' HB2' HD11 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -63.33 -12.91 33.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.612 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.37 -29.66 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.09 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.3 OUTLIER -39.48 -28.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 110.277 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.492 HD11 HD23 ' A' ' 27' ' ' LEU . 28.8 mt -65.19 171.34 3.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 76' ' ' MET . 1.6 mmt-85 -117.92 129.67 55.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.456 ' SD ' ' ND2' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -51.0 -175.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.456 ' ND2' ' SD ' ' A' ' 76' ' ' MET . 0.7 OUTLIER 60.97 14.54 5.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.4 127.31 32.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -79.84 130.91 35.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.573 ' N ' HD12 ' A' ' 80' ' ' LEU . 4.4 mp -87.19 97.04 10.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.625 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.9 pt -77.11 -4.91 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 168.33 172.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.056 HG22 ' ND2' ' A' ' 84' ' ' ASN . 5.7 p -159.15 136.36 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 1.056 ' ND2' HG22 ' A' ' 83' ' ' VAL . 2.1 p30 43.7 52.7 6.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.23 23.05 46.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.579 1.175 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 83' ' ' VAL . 20.7 tt0 -113.94 145.59 41.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -83.44 149.77 26.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.461 HD11 ' CG1' ' A' ' 83' ' ' VAL . 40.4 mt -127.28 -49.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.598 ' N ' HD23 ' A' ' 89' ' ' LEU . 3.3 mt -50.73 -36.91 38.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.54 -29.18 63.45 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -99.57 -167.39 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.783 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 80.0 p -108.97 -179.04 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.749 ' HA ' HD11 ' A' ' 57' ' ' ILE . 88.8 m-20 -54.39 -48.29 71.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -62.73 -74.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.633 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' GLU . 8.5 mt-10 -39.76 -63.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.76 -68.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.1 mmm -46.46 -34.0 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -64.73 -32.03 73.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 96' ' ' ALA . 1.3 m -74.7 -46.32 38.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.853 HD12 HG21 ' A' ' 83' ' ' VAL . 8.1 tp -48.9 -67.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 104' ' ' MET . 52.0 ttp180 -50.08 -61.5 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.304 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -46.5 -35.85 6.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.511 ' CB ' ' ND2' ' A' ' 84' ' ' ASN . 0.4 OUTLIER -68.18 -34.63 76.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.915 ' HE1' HD12 ' A' ' 39' ' ' LEU . 20.6 mtt -64.92 -30.37 71.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.43 -13.21 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.525 ' O ' HD13 ' A' ' 110' ' ' ILE . 3.6 mmt -95.78 -52.68 3.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.558 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 7.1 mm-40 -74.08 -43.99 55.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.486 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -68.67 -6.89 52.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -82.25 -57.87 3.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.765 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -95.86 -41.57 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -76.34 -48.42 20.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.486 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 90.97 13.82 58.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.458 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 9.1 ptp -159.07 173.52 16.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.924 ' CG2' HD21 ' A' ' 39' ' ' LEU . 18.0 tt -138.65 140.07 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.945 ' O ' HG23 ' A' ' 83' ' ' VAL . 14.1 tt0 -99.43 153.06 19.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.427 ' CD2' HD11 ' A' ' 100' ' ' LEU . 37.9 mt -137.6 118.56 14.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.61 HG12 HD11 ' A' ' 81' ' ' ILE . 5.0 t -101.16 123.86 54.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -118.16 151.46 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.694 HD22 ' O ' ' A' ' 23' ' ' GLU . 2.8 tm? -131.48 116.37 17.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.84 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -125.55 147.58 49.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.7 ' HB3' HD21 ' A' ' 27' ' ' LEU . 30.5 mt -132.35 128.22 37.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.7 ' C ' HD22 ' A' ' 27' ' ' LEU . 49.1 m -102.21 109.42 21.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.762 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -119.99 127.11 52.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -100.49 152.26 20.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -146.41 116.48 4.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.705 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.98 149.31 36.63 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.452 1.764 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 30' ' ' PRO . 17.4 mt -129.93 62.34 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -89.32 -62.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -92.54 -32.88 14.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 t -78.71 -30.21 45.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.031 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.61 -39.62 54.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.3 p -42.21 -49.89 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.003 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.1 -45.48 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 145.07 -176.26 24.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.62 HD21 ' CG2' ' A' ' 114' ' ' ILE . 18.8 mt -40.33 -69.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.33 38.42 1.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.636 ' HA ' HD13 ' A' ' 63' ' ' ILE . 4.3 m -144.75 151.46 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.794 ' C ' HD23 ' A' ' 43' ' ' LEU . 4.0 t -98.32 137.27 37.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.794 HD23 ' C ' ' A' ' 42' ' ' SER . 6.3 mt -117.16 179.74 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.14 138.41 19.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.8 132.91 11.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.28 137.74 51.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -127.48 147.34 50.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.43 125.67 53.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -52.69 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.31 -65.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.5 p -68.42 -39.85 81.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.91 46.05 5.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.479 HG22 ' N ' ' A' ' 54' ' ' ASP . 58.1 m -141.16 170.85 14.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.446 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.479 ' N ' HG22 ' A' ' 53' ' ' THR . 0.5 OUTLIER -89.84 102.59 15.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -42.2 -38.18 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.16 -162.78 22.57 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.627 HG23 ' CE ' ' A' ' 97' ' ' MET . 40.7 mm -108.16 148.18 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 4.4 m-85 -142.59 155.99 45.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.479 ' HA ' HD22 ' A' ' 43' ' ' LEU . 34.0 mt -81.08 147.79 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 42' ' ' SER . 4.1 ttpt -97.1 -53.06 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.53 168.38 3.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.71 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.8 mp -109.79 137.99 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.636 HD13 ' HA ' ' A' ' 41' ' ' VAL . 2.6 mp -91.6 111.55 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.799 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 8.1 t-80 -72.46 148.31 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.468 ' N ' ' ND1' ' A' ' 64' ' ' HIS . . . 86.97 10.27 72.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.47 -147.87 7.94 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.84 -50.85 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 72' ' ' GLY . . . -55.77 -35.81 66.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.799 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 3.8 t80 -36.99 -44.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -54.18 -53.23 56.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' ARG . 5.1 t0 -77.45 -12.8 60.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.71 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.1 -30.22 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASP . 9.9 ptm180 -38.12 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.718 HD11 ' HG ' ' A' ' 27' ' ' LEU . 32.9 mt -63.44 177.8 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -128.73 124.1 34.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.511 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -42.64 166.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 76' ' ' MET . 1.9 m-20 83.27 -0.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.496 ' O ' HD12 ' A' ' 80' ' ' LEU . 2.4 m-20 -63.15 114.47 3.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 58' ' ' PHE . 7.8 tt0 -68.76 124.15 22.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 78' ' ' ASP . 8.3 mp -83.43 116.14 22.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.64 HD11 HG12 ' A' ' 117' ' ' VAL . 2.8 pt -104.51 -44.65 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 86' ' ' GLU . . . -146.3 135.15 22.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.89 HG22 ' ND2' ' A' ' 84' ' ' ASN . 0.9 OUTLIER -120.75 126.51 75.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.89 ' ND2' HG22 ' A' ' 83' ' ' VAL . 16.7 p30 46.37 31.43 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.33 -28.86 10.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -56.54 131.19 47.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.79 . . . . 0.0 110.329 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.442 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -83.18 131.95 35.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.372 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.44 HD11 HG12 ' A' ' 83' ' ' VAL . 59.7 mt -111.27 -23.98 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.531 HD21 ' CB ' ' A' ' 81' ' ' ILE . 6.7 mt -49.23 -67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -50.9 -32.15 25.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -80.04 179.24 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.751 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 40.9 m -117.9 -177.49 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.623 ' HA ' HD11 ' A' ' 57' ' ' ILE . 39.8 m-20 -53.83 -48.79 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -61.57 -73.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.0 mt-10 -40.85 -62.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.59 -70.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.627 ' CE ' HG23 ' A' ' 57' ' ' ILE . 13.5 mmt -48.2 -35.85 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -30.89 69.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 96' ' ' ALA . 2.8 m -72.84 -41.05 65.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.793 HD12 HG21 ' A' ' 83' ' ' VAL . 9.4 tp -50.59 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -42.22 -37.46 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -63.19 -60.84 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -58.91 -35.86 73.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.513 ' SD ' HD12 ' A' ' 39' ' ' LEU . 45.6 mtp -56.61 -32.09 64.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.95 -25.66 15.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.618 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -87.01 -66.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.632 ' HA ' HD11 ' A' ' 110' ' ' ILE . 13.2 mm-40 -54.57 -17.81 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.478 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -93.74 -7.13 61.72 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -93.11 -57.66 2.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.654 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -76.98 -39.87 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -95.44 -72.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.478 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 117.52 20.38 4.68 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.525 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -159.6 179.15 9.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 111.059 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.66 ' CG2' HD11 ' A' ' 31' ' ' LEU . 12.5 tt -154.56 139.75 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.671 ' NE2' HG23 ' A' ' 26' ' ' THR . 36.2 tt0 -105.28 160.2 15.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 115' ' ' GLN . 30.9 mt -133.5 120.99 21.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.64 HG12 HD11 ' A' ' 81' ' ' ILE . 39.5 t -104.48 116.74 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.424 HD13 ' OD1' ' A' ' 78' ' ' ASP . 1.3 pp -106.94 155.98 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 23' ' ' GLU . 2.3 tm? -145.72 121.46 10.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.536 ' N ' HD13 ' A' ' 119' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.586 ' O ' HD22 ' A' ' 119' ' ' LEU . 2.5 mt-10 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.659 ' HG3' HD11 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -143.66 144.03 31.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.409 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 27.9 mt -119.93 155.71 32.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.616 ' C ' HD22 ' A' ' 27' ' ' LEU . 29.6 m -133.25 107.71 8.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.708 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -112.9 130.48 56.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -97.01 155.72 16.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.742 HD11 ' CB ' ' A' ' 71' ' ' ASP . 25.0 mt -146.16 122.49 5.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.42 ' C ' HD23 ' A' ' 31' ' ' LEU . 18.5 Cg_endo -74.99 132.92 15.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 0.0 111.055 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.542 HD21 ' CD2' ' A' ' 39' ' ' LEU . 15.8 mt -112.02 49.87 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 69.3 m-80 -77.72 -63.66 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -90.58 -33.25 15.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -43.99 53.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 109.999 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -40.25 -38.77 1.42 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -37.17 -65.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 110.014 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.35 -28.11 15.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 135.35 178.41 15.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.542 ' CD2' HD21 ' A' ' 31' ' ' LEU . 14.3 mt -39.15 -67.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.535 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 115.69 27.01 3.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.47 ' HA ' HD13 ' A' ' 63' ' ' ILE . 4.4 m -128.68 149.22 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.913 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -102.05 140.6 36.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.913 HD23 ' C ' ' A' ' 42' ' ' SER . 3.0 mt -116.09 176.29 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.15 151.33 48.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.34 132.87 11.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.488 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 2.2 m-20 -113.86 124.18 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -116.8 152.2 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.93 131.53 56.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -47.89 10.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -40.38 -57.58 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.2 p -83.32 -41.0 18.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.411 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.08 49.37 3.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.462 HG22 ' H ' ' A' ' 54' ' ' ASP . 9.3 m -146.03 173.78 11.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.462 ' H ' HG22 ' A' ' 53' ' ' THR . 4.6 m-20 -99.19 108.16 20.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.9 mt -47.74 -54.77 11.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.22 -145.01 10.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.535 HD11 ' HA ' ' A' ' 93' ' ' ASN . 35.3 mm -117.81 145.25 23.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 4.9 m-85 -139.61 130.09 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.454 HD12 ' HB2' ' A' ' 78' ' ' ASP . 49.4 mt -51.72 152.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.41 -51.42 2.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.91 149.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.962 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.66 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.4 mp -93.64 139.46 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.535 HD13 ' O ' ' A' ' 40' ' ' GLY . 3.8 mp -94.44 97.8 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.554 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 1.6 m80 -52.37 -176.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.614 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 43.83 35.7 3.35 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.83 -151.27 5.55 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.54 -57.56 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.434 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -53.21 -31.09 41.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 7.4 t80 -40.58 -40.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -53.25 -47.26 69.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.742 ' CB ' HD11 ' A' ' 29' ' ' ILE . 22.8 t0 -86.89 -13.33 45.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.66 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -38.13 -29.04 0.05 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 71' ' ' ASP . 13.5 ptp180 -39.15 -29.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.2 mt -67.56 178.83 1.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -127.59 137.34 52.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.5 176.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 63.43 27.5 15.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.456 ' HB3' ' CG2' ' A' ' 118' ' ' ILE . 48.4 m-20 -90.45 93.09 9.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -51.96 127.55 21.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 80' ' ' LEU . 3.5 mp -86.94 92.61 9.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.804 ' HA ' HD21 ' A' ' 89' ' ' LEU . 28.1 pt -73.31 -6.02 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 178.45 -179.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.02 HG21 HD12 ' A' ' 100' ' ' LEU . 2.6 p -169.36 122.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.239 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 56.32 19.97 4.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.77 -8.74 68.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.73 ' HG2' HG21 ' A' ' 99' ' ' THR . 0.7 OUTLIER -87.6 130.46 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.65 153.94 42.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.416 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.443 HD12 ' HB3' ' A' ' 80' ' ' LEU . 80.6 mt -126.28 -43.16 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.804 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.2 mt -48.18 -39.75 21.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.4 -28.8 71.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' LEU . 7.3 mttt -94.9 -175.63 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 50.3 m -103.99 -172.03 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.535 ' HA ' HD11 ' A' ' 57' ' ' ILE . 44.4 m-20 -62.14 -51.29 68.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 95' ' ' GLU . 74.7 t60 -62.84 -71.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' ALA . 6.4 mt-10 -38.47 -65.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.71 -68.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.417 ' HG2' ' CD1' ' A' ' 57' ' ' ILE . 17.3 mmm -47.35 -37.59 11.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -63.19 -30.58 71.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.73 HG21 ' HG2' ' A' ' 86' ' ' GLU . 1.2 m -77.79 -44.23 28.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 1.02 HD12 HG21 ' A' ' 83' ' ' VAL . 14.3 tp -45.29 -74.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.427 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 19.0 ptt180 -46.78 -26.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -73.53 -61.24 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.429 ' CA ' ' HB2' ' A' ' 107' ' ' GLU . 1.9 m -59.14 -13.49 7.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.064 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.535 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 11.7 mtm -75.18 -46.17 35.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.3 OUTLIER -97.14 -36.48 10.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -62.4 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.429 ' HB2' ' CA ' ' A' ' 103' ' ' SER . 3.6 mm-40 -74.26 -18.69 60.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -93.9 -8.64 60.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 105' ' ' SER . 1.7 m-20 -72.69 -36.41 67.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.802 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -97.34 -34.49 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.414 ' N ' HG12 ' A' ' 110' ' ' ILE . 2.4 mmp_? -79.89 -69.07 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 117.58 10.34 9.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.484 ' SD ' ' C ' ' A' ' 113' ' ' MET . 0.0 OUTLIER -161.8 -168.65 2.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 111.011 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.465 ' CG2' HD21 ' A' ' 39' ' ' LEU . 5.6 tt -148.3 133.43 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.458 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 9.6 tt0 -95.61 129.7 42.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.1 mt -113.66 117.9 32.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.736 HG12 HD11 ' A' ' 81' ' ' ILE . 38.5 t -104.72 126.62 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 78' ' ' ASP . 1.5 pp -117.74 147.87 20.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.736 ' HB2' HG21 ' A' ' 81' ' ' ILE . 3.1 tm? -115.44 122.02 44.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 64.42 109.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.78 . . . . 0.0 110.03 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.28 132.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.024 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.13 -165.99 18.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -156.4 168.53 27.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.962 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.32 166.22 31.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.019 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.69 -131.12 10.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.13 130.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 0.779 . . . . 0.0 109.276 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.24 94.04 3.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.56 -70.17 0.52 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.123 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 63.66 93.21 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.785 . . . . 0.0 110.263 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 57.5 4.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.5 t0 178.03 146.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.73 -60.49 3.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 108.293 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -173.56 131.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -137.3 118.18 14.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.263 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.5 mt -123.84 -59.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.5 m -136.31 132.95 36.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.28 135.61 57.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.68 155.28 33.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.08 . . . . 0.0 110.34 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.2 p -166.4 148.29 6.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.633 ' HB2' HD21 ' A' ' 119' ' ' LEU . 4.6 m -47.78 153.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.794 ' O ' HD22 ' A' ' 119' ' ' LEU . 4.8 mt-10 -109.07 161.87 14.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.406 ' HG3' HD11 ' A' ' 81' ' ' ILE . 0.5 OUTLIER -136.25 140.85 43.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.8 mt -117.79 150.2 39.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.604 ' C ' HD22 ' A' ' 27' ' ' LEU . 12.4 m -124.92 108.29 11.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.604 HD22 ' C ' ' A' ' 26' ' ' THR . 1.3 mm? -107.76 137.69 45.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.52 123.62 50.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.319 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.3 mp -121.83 121.0 28.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.525 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.4 Cg_endo -74.99 138.23 22.79 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.631 HD21 HD23 ' A' ' 39' ' ' LEU . 20.1 mt -117.25 49.97 1.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.442 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 60.0 m-80 -80.69 -61.4 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.86 -33.77 15.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -76.01 -44.52 39.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.951 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -39.68 -44.5 2.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.544 1.152 . . . . 0.0 110.978 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 m -38.08 -58.42 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 110.014 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.94 -45.03 10.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 148.28 -176.03 27.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.085 HD21 HG21 ' A' ' 114' ' ' ILE . 29.2 mt -44.95 -62.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 0.757 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.553 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 111.69 13.87 12.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.508 HG12 ' HA ' ' A' ' 62' ' ' ILE . 5.7 m -123.07 155.27 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 0.759 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.956 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -112.28 144.07 42.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.943 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.956 HD23 ' C ' ' A' ' 42' ' ' SER . 3.2 mt -121.19 163.98 17.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.96 139.52 46.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.274 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -91.28 139.91 14.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -119.3 130.56 55.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.88 148.62 36.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.95 129.85 54.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -87.86 -26.9 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.715 ' HG2' HG23 ' A' ' 51' ' ' THR . 1.4 pm0 -63.5 -29.09 70.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.715 HG23 ' HG2' ' A' ' 50' ' ' GLU . 6.8 p -108.23 -36.49 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 110.355 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.89 22.13 53.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.69 HG23 ' N ' ' A' ' 54' ' ' ASP . 1.2 t -122.54 -164.22 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 0.773 . . . . 0.0 110.411 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.69 ' N ' HG23 ' A' ' 53' ' ' THR . 0.1 OUTLIER -114.52 104.25 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.1 mt -42.3 -39.98 2.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 138.67 -150.77 21.29 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.799 HD11 ' HA ' ' A' ' 93' ' ' ASN . 23.9 mm -117.37 143.16 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.488 ' CZ ' ' CD ' ' A' ' 79' ' ' GLN . 6.4 m-85 -140.39 141.14 35.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.611 ' HA ' HD22 ' A' ' 43' ' ' LEU . 39.1 mt -54.25 145.38 4.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.68 -48.44 4.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.0 139.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.04 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.645 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.3 mp -85.63 139.82 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.553 HD13 ' O ' ' A' ' 40' ' ' GLY . 4.1 mp -96.63 101.17 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.588 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 1.5 m80 -53.1 -175.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.583 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 47.07 26.58 3.12 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.26 -155.06 8.55 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.93 -51.05 5.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.566 0.804 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -58.99 -31.67 68.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.588 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 6.5 t80 -36.86 -42.38 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -51.2 -50.98 58.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' ALA . 0.4 OUTLIER -86.07 -13.0 48.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.645 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -43.31 -24.12 0.32 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 71' ' ' ASP . 1.6 ptm180 -37.84 -29.99 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 0.795 . . . . 0.0 110.275 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' GLY . 25.2 mt -67.45 -174.03 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.85 143.04 46.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -49.13 173.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.62 19.82 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.703 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.8 OUTLIER -86.67 95.14 9.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.488 ' CD ' ' CZ ' ' A' ' 58' ' ' PHE . 32.2 tt0 -52.17 131.97 32.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.703 HD12 ' O ' ' A' ' 78' ' ' ASP . 6.9 mp -97.52 93.39 6.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.849 HG22 HD11 ' A' ' 89' ' ' LEU . 21.0 pt -73.74 -4.17 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 178.07 -176.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.02 HG21 HD12 ' A' ' 100' ' ' LEU . 2.7 p -171.87 114.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.61 20.46 9.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.62 -8.34 68.63 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.711 ' HG2' HG21 ' A' ' 99' ' ' THR . 0.4 OUTLIER -90.92 131.01 36.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 0.0 110.326 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.34 155.77 40.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.408 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.624 HD12 ' HB3' ' A' ' 80' ' ' LEU . 65.4 mt -125.97 -44.15 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.849 HD11 HG22 ' A' ' 81' ' ' ILE . 3.2 mt -48.55 -40.72 28.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.36 -25.98 63.47 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 88' ' ' LEU . 7.7 mttt -97.99 -174.72 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 0.767 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -103.2 -174.57 2.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.996 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.799 ' HA ' HD11 ' A' ' 57' ' ' ILE . 6.2 m120 -60.21 -52.23 66.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 95' ' ' GLU . 7.2 p-80 -61.92 -71.91 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.625 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 98' ' ' GLU . 8.4 mt-10 -38.39 -64.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -39.91 -69.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 33.6 mmm -49.43 -28.22 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -73.24 -28.63 62.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.711 HG21 ' HG2' ' A' ' 86' ' ' GLU . 1.3 m -74.06 -42.87 59.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.367 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.02 HD12 HG21 ' A' ' 83' ' ' VAL . 8.5 tp -45.84 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.62 -33.59 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -62.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.277 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 70.2 m -59.0 -28.83 66.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.472 ' HG3' ' CD1' ' A' ' 114' ' ' ILE . 26.6 mtp -66.0 -35.23 80.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.4 -21.15 17.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.06 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.544 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -84.33 -57.68 3.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.535 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 4.4 mm-40 -72.01 -40.12 68.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.492 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -67.73 -7.0 46.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 106' ' ' MET . 5.6 t30 -88.98 -66.23 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 0.766 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.605 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -76.8 -39.42 30.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.535 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -87.18 -70.7 0.6 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.492 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 111.01 9.61 22.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.525 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 9.6 mtm -143.85 165.51 27.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 111.051 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 1.085 HG21 HD21 ' A' ' 39' ' ' LEU . 11.6 tt -138.16 136.43 44.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.499 ' NE2' ' CG2' ' A' ' 26' ' ' THR . 17.5 tt0 -103.79 141.19 36.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.9 mt -121.43 118.59 29.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.747 HG12 HD11 ' A' ' 81' ' ' ILE . 18.9 t -103.44 114.8 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.8 pp -111.14 162.48 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.794 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -132.47 121.74 23.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.303 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -137.22 112.86 9.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.75 167.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -51.15 -62.29 1.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.02 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -146.54 141.91 9.96 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 56.43 4.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 111.02 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 39.7 78.05 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.044 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.66 132.17 53.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.053 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.504 1.127 . . . . 0.0 110.998 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.3 p -136.09 -58.4 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 0.718 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 t 57.78 160.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.69 -162.28 10.78 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -178.43 129.11 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 0.746 . . . . 0.0 109.944 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.6 147.88 35.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.76 -143.7 6.99 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -167.71 -68.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.789 . . . . 0.0 109.315 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.79 146.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -70.31 86.81 0.32 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.24 151.21 28.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.734 . . . . 0.0 110.269 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -41.76 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.408 ' CG ' ' CD1' ' A' ' 15' ' ' TYR . 21.9 t0 179.97 -62.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.1 m 64.19 104.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.314 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.408 ' CD1' ' CG ' ' A' ' 13' ' ' ASP . 37.2 p90 -168.57 -42.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 64.61 164.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.281 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.6 mt -69.28 -107.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.8 p 40.06 66.71 0.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.017 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.607 HD12 ' N ' ' A' ' 20' ' ' GLU . 3.4 pp -153.23 -46.43 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.607 ' N ' HD12 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -57.63 152.16 15.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.316 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 20' ' ' GLU . 0.1 OUTLIER 81.66 -51.75 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.57 ' CB ' HD11 ' A' ' 119' ' ' LEU . 3.8 m 60.18 -178.49 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.795 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.5 mm-40 -88.44 129.39 35.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -127.74 141.73 51.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 26.1 mt -123.75 126.48 46.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.446 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 6.2 m -102.55 105.67 16.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 110.346 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.658 ' HG ' HD11 ' A' ' 74' ' ' LEU . 2.9 mm? -100.23 141.21 33.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -118.38 120.45 37.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.2 mt -119.64 119.9 31.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.562 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.0 148.0 34.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.788 HD21 HD23 ' A' ' 39' ' ' LEU . 51.1 mt -123.96 40.54 3.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 1.1 p30 -61.29 -63.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.3 -25.37 15.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.5 t -72.97 -43.91 61.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.465 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -37.68 -40.1 0.67 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -38.41 -64.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 109.972 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.87 -29.28 16.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 126.7 179.13 15.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.791 HD12 ' SD ' ' A' ' 104' ' ' MET . 18.6 mt -39.4 -70.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 114.85 32.19 1.94 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.447 ' HA ' HD13 ' A' ' 63' ' ' ILE . 3.2 m -131.53 152.31 36.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.77 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.902 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -112.84 138.96 48.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 110.03 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.902 HD23 ' C ' ' A' ' 42' ' ' SER . 2.4 mt -114.43 157.31 23.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.49 136.45 53.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.18 135.83 13.22 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.548 ' HB3' HD12 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -116.95 134.92 54.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -131.74 149.18 52.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.82 132.98 56.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -38.05 20.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.39 -65.59 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.227 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 81.1 p -75.37 -18.34 59.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.394 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.06 35.31 83.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 m -122.15 168.57 11.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 0.781 . . . . 0.0 110.361 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -94.21 107.44 19.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.548 HD12 ' HB3' ' A' ' 46' ' ' ASN . 74.2 mt -52.75 -31.12 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.72 -134.61 9.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 12.6 mm -128.78 147.01 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.742 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.541 ' CZ ' ' CD ' ' A' ' 79' ' ' GLN . 11.1 m-85 -141.85 132.47 25.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.449 ' HA ' HD22 ' A' ' 43' ' ' LEU . 23.0 mt -50.45 145.55 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.24 -53.74 3.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.4 145.05 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.689 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.2 mp -88.36 135.65 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 63' ' ' ILE . 3.8 mp -90.98 106.62 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -57.91 -178.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.64 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 47.78 33.84 10.0 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -138.0 -160.33 8.46 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.15 -50.0 8.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -58.79 -36.54 74.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.361 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 68' ' ' ALA . 21.0 t80 -35.85 -43.53 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -52.32 -54.03 36.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 73' ' ' ARG . 4.0 t70 -80.43 -12.87 59.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.689 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -39.67 -27.24 0.1 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 71' ' ' ASP . 13.0 ptt180 -37.49 -30.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.658 HD11 ' HG ' ' A' ' 27' ' ' LEU . 17.2 mt -62.33 177.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.7 mmt180 -124.73 132.32 53.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -46.45 173.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 67.48 26.48 8.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -89.83 96.87 10.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.541 ' CD ' ' CZ ' ' A' ' 58' ' ' PHE . 30.2 tt0 -51.84 139.68 21.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.533 ' O ' HD21 ' A' ' 89' ' ' LEU . 4.0 mp -101.94 112.52 25.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.694 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.3 pt -94.9 7.32 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.694 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 163.08 166.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.967 HG21 HD12 ' A' ' 100' ' ' LEU . 3.4 p -152.03 121.22 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 107' ' ' GLU . 0.5 OUTLIER 57.54 18.6 4.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.86 -18.5 49.78 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.461 1.1 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -69.19 161.6 28.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.751 . . . . 0.0 110.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.27 138.39 39.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.361 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.507 HD12 ' HB3' ' A' ' 80' ' ' LEU . 89.3 mt -114.28 -37.86 4.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.563 ' N ' HD23 ' A' ' 89' ' ' LEU . 4.0 mt -60.17 -37.02 78.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.74 -27.76 73.58 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.458 1.099 . . . . 0.0 111.043 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -87.75 -141.22 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 0.74 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.06 -150.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 109.987 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.415 ' HA ' HD11 ' A' ' 57' ' ' ILE . 7.4 m120 -80.9 -54.71 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.467 ' CD2' ' HG2' ' A' ' 95' ' ' GLU . 13.5 p-80 -64.57 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.467 ' HG2' ' CD2' ' A' ' 94' ' ' HIS . 2.6 mt-10 -36.02 -69.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.453 ' HB1' HD22 ' A' ' 88' ' ' LEU . . . -37.15 -66.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.418 ' HE1' HD12 ' A' ' 43' ' ' LEU . 16.1 mmt -47.94 -43.37 29.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.427 ' OE2' ' NE ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -62.74 -20.91 65.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.431 ' O ' ' CB ' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -91.27 -51.77 5.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.967 HD12 HG21 ' A' ' 83' ' ' VAL . 8.6 tp -39.73 -71.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -50.05 -29.7 9.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 99' ' ' THR . 3.1 ttp85 -64.9 -59.51 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.301 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 107' ' ' GLU . 32.9 p -53.59 -34.54 58.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.791 ' SD ' HD12 ' A' ' 39' ' ' LEU . 16.2 mtt -59.17 -34.36 72.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.467 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.6 OUTLIER -96.67 -41.72 8.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.467 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -75.9 -61.07 2.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.971 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.617 ' HA ' HD11 ' A' ' 110' ' ' ILE . 7.7 mm-40 -71.33 -13.95 62.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.44 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.39 -5.39 60.44 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.445 1.09 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 105' ' ' SER . 4.2 m-20 -90.16 -55.96 3.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 0.789 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.628 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -75.98 -41.56 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.524 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -83.98 -71.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.334 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 119.34 9.71 8.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.54 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 11.2 ptp -158.69 174.41 15.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.743 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.766 ' CG2' HD21 ' A' ' 39' ' ' LEU . 7.4 tt -136.41 151.03 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.446 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 11.1 tt0 -115.61 152.73 32.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.243 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.416 ' N ' ' HG2' ' A' ' 115' ' ' GLN . 67.1 mt -131.71 123.67 28.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.621 HG12 HD11 ' A' ' 81' ' ' ILE . 6.1 t -104.98 113.72 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -109.04 164.44 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.795 HD22 ' O ' ' A' ' 23' ' ' GLU . 2.4 tm? -139.67 129.05 24.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.531 ' N ' HD13 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -114.15 129.58 56.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.1 ptt-85 -100.36 160.03 14.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.97 -68.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 144.78 74.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.48 7.7 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.3 m -110.19 -58.65 2.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.1 168.31 27.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 110.966 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 t -98.19 126.7 43.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 0.777 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -121.59 144.81 48.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.18 111.79 0.32 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.82 82.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 0.754 . . . . 0.0 110.042 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.7 -59.02 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.93 164.57 1.81 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 mt -60.0 -61.59 2.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 0.773 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -171.14 67.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 41.61 -134.9 3.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -174.07 144.21 0.98 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 110.281 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 13' ' ' ASP . 18.3 Cg_endo -74.97 -56.56 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.525 1.802 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.479 ' CB ' ' O ' ' A' ' 12' ' ' PRO . 19.2 t0 81.52 -65.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.6 t 79.04 -62.52 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.572 1.17 . . . . 0.0 108.269 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.78 152.06 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -152.77 138.67 18.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.1 mt -102.73 119.84 39.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.6 -57.54 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.4 mt -88.75 143.25 27.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -112.48 118.68 35.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.238 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.8 m -107.85 154.41 21.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.975 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.557 ' HB3' HD21 ' A' ' 119' ' ' LEU . 17.6 m -86.19 167.63 14.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.696 ' O ' HD22 ' A' ' 119' ' ' LEU . 15.4 mm-40 -111.32 126.07 54.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.327 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.82 140.44 49.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.506 ' HB3' HD21 ' A' ' 27' ' ' LEU . 24.9 mt -126.69 114.63 18.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.68 ' C ' HD22 ' A' ' 27' ' ' LEU . 19.4 m -100.23 111.65 23.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.417 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.74 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -113.86 125.78 54.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.14 135.96 41.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.637 HD11 ' OD2' ' A' ' 71' ' ' ASP . 2.5 mp -126.23 122.16 24.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.709 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.93 146.79 33.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.709 HD23 ' O ' ' A' ' 30' ' ' PRO . 42.6 mt -126.81 51.63 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.442 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 18.1 m-80 -92.18 -62.02 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -75.54 -48.36 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.433 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 0.2 OUTLIER -76.48 -20.91 56.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' SER . . . -36.6 -39.46 0.37 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m -52.78 -57.32 10.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.982 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.75 -53.16 6.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 34' ' ' SER . . . 129.86 -174.26 19.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.944 HD12 ' CE ' ' A' ' 104' ' ' MET . 29.8 mt -40.44 -69.07 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.81 53.25 1.55 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.477 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -144.11 154.95 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.909 ' C ' HD23 ' A' ' 43' ' ' LEU . 2.3 t -115.22 133.05 56.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.909 HD23 ' C ' ' A' ' 42' ' ' SER . 2.8 mt -116.38 176.49 5.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -136.45 143.64 43.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.19 118.73 6.15 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.032 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.474 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 1.2 t-20 -96.85 132.03 43.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.784 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -121.85 153.9 37.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.469 ' HB3' HG22 ' A' ' 51' ' ' THR . 0.5 OUTLIER -116.75 145.99 43.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.978 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.04 -47.98 7.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.325 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.06 -66.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.506 HG23 ' H ' ' A' ' 53' ' ' THR . 6.5 t -67.64 -20.1 65.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.26 31.96 70.84 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.546 1.153 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.506 ' H ' HG23 ' A' ' 51' ' ' THR . 3.1 m -140.05 153.25 46.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 110.391 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -57.92 135.55 56.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 33.0 mt -77.05 -45.45 27.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.84 -133.32 3.37 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.564 1.165 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.658 HD11 ' HA ' ' A' ' 93' ' ' ASN . 17.9 mm -134.4 143.41 38.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.45 0.735 . . . . 0.0 109.278 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 46' ' ' ASN . 26.9 m-85 -135.9 132.13 36.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.529 ' HA ' HD22 ' A' ' 43' ' ' LEU . 39.2 mt -59.46 146.81 9.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -99.32 -53.01 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 p -173.62 164.84 4.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.795 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.6 mp -108.75 127.2 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.499 HD12 ' N ' ' A' ' 63' ' ' ILE . 4.0 mp -87.11 112.47 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.495 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.1 OUTLIER -65.75 165.29 12.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.608 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.495 ' N ' ' CG ' ' A' ' 64' ' ' HIS . . . 71.01 13.37 72.57 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.88 -161.08 11.3 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' A' ' 34' ' ' SER . . . -85.7 -38.79 17.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 0.781 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.477 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -65.03 -32.69 74.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -42.34 -40.61 2.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -56.75 -42.58 79.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.637 ' OD2' HD11 ' A' ' 29' ' ' ILE . 17.4 t0 -88.23 -13.51 40.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.795 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.67 -29.85 0.05 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 71' ' ' ASP . 9.3 ptm180 -38.14 -30.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 0.728 . . . . 0.0 110.281 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 72' ' ' GLY . 33.9 mt -64.33 -175.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -134.8 128.75 33.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.419 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -43.46 167.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 70.52 22.8 5.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -89.7 101.28 13.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.414 ' HG3' ' CE1' ' A' ' 58' ' ' PHE . 17.3 tt0 -55.78 134.74 51.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 80' ' ' LEU . 1.6 mp -93.65 131.62 38.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.767 ' HA ' HD21 ' A' ' 89' ' ' LEU . 23.2 pt -116.64 7.95 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.704 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 162.26 159.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.735 HG21 HD12 ' A' ' 100' ' ' LEU . 1.4 p -147.1 120.34 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.716 HD22 HG22 ' A' ' 83' ' ' VAL . 10.8 p30 49.35 22.73 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 83' ' ' VAL . . . 106.68 -28.1 14.39 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' VAL . 3.5 mm-40 -63.2 142.38 58.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.79 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.406 ' O ' ' CE ' ' A' ' 91' ' ' LYS . 0.4 OUTLIER -93.6 141.16 28.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.407 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.429 HD12 ' CB ' ' A' ' 80' ' ' LEU . 70.7 mt -114.58 -39.81 3.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.16 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.767 HD21 ' HA ' ' A' ' 81' ' ' ILE . 5.3 mt -51.05 -53.26 35.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.26 -27.43 52.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.13 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.406 ' CE ' ' O ' ' A' ' 87' ' ' THR . 6.3 mttm -88.89 -153.14 0.25 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 58.1 p -132.83 -150.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.014 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.658 ' HA ' HD11 ' A' ' 57' ' ' ILE . 62.7 m-20 -80.48 -51.99 8.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -66.0 -67.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.602 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 96' ' ' ALA . 9.0 mt-10 -39.23 -65.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -39.29 -69.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.531 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 11.0 mmt -44.56 -50.72 9.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 110.983 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -29.14 57.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 110.273 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -81.04 -51.68 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.411 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.735 HD12 HG21 ' A' ' 83' ' ' VAL . 8.1 tp -39.68 -66.16 0.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -54.13 -34.39 60.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -57.26 -51.78 67.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.547 ' CB ' ' ND2' ' A' ' 84' ' ' ASN . 23.9 m -60.3 -40.49 90.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.944 ' CE ' HD12 ' A' ' 39' ' ' LEU . 13.7 mtt -54.86 -28.18 48.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 26.6 t -97.11 -40.16 8.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.569 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.1 OUTLIER -80.34 -64.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.642 ' HA ' HD11 ' A' ' 110' ' ' ILE . 3.1 mm-40 -60.3 -13.5 13.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.27 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.423 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -93.68 -7.54 61.49 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.128 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -93.53 -59.54 1.99 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 0.766 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -74.62 -39.52 47.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -95.32 -72.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.423 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 112.27 23.66 5.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.442 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -162.81 172.43 15.21 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 0.8 . . . . 0.0 111.021 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.915 ' CG2' HD21 ' A' ' 39' ' ' LEU . 18.7 tt -142.74 137.04 27.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.519 ' CD ' HG22 ' A' ' 26' ' ' THR . 20.9 tt0 -105.66 154.97 19.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 14.6 mt -130.97 126.65 36.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.502 HG12 HD11 ' A' ' 81' ' ' ILE . 6.3 t -109.67 110.26 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 119' ' ' LEU . 1.0 OUTLIER -104.2 163.44 4.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.696 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -138.26 136.52 36.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.461 ' H ' HD22 ' A' ' 119' ' ' LEU . 6.6 ttp180 -143.76 145.55 32.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.249 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -65.95 167.18 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 t -42.62 -56.0 3.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.972 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -176.58 -123.97 0.8 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -37.08 2.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.496 1.787 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.5 165.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.989 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 29.3 m 40.64 78.71 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.27 128.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 0.793 . . . . 0.0 109.955 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.76 168.48 0.51 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.95 116.11 0.44 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 p -163.12 117.11 1.64 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 p -169.04 168.13 10.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.09 144.15 13.31 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 mp -147.86 -67.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.558 0.799 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.07 177.12 2.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.19 -138.32 5.34 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -143.79 147.61 39.38 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -63.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.478 1.778 . . . . 0.0 111.008 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 t70 73.9 89.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.258 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.2 t -127.47 11.1 6.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 108.307 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -42.16 132.15 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.04 -169.21 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -124.09 -107.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -157.78 168.23 27.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.962 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.755 HD12 ' N ' ' A' ' 20' ' ' GLU . 1.1 pp -135.12 -47.95 0.72 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.755 ' N ' HD12 ' A' ' 19' ' ' LEU . 15.1 pt-20 -54.86 122.42 10.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 110.266 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.8 p -160.75 170.51 20.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.995 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -54.1 172.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.127 . . . . 0.0 110.01 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -108.47 146.78 32.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.593 ' HB2' HD22 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -138.76 144.43 39.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.42 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 23.7 mt -121.14 152.9 38.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 0.0 109.355 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.471 ' C ' HD22 ' A' ' 27' ' ' LEU . 94.3 m -133.39 114.3 13.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.471 HD22 ' C ' ' A' ' 26' ' ' THR . 1.5 mm? -107.28 150.97 26.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -120.13 125.53 48.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.424 HD11 ' OD2' ' A' ' 71' ' ' ASP . 4.9 mt -123.01 117.42 28.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.646 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.01 142.71 28.15 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.646 HD23 ' O ' ' A' ' 30' ' ' PRO . 15.0 mt -119.32 37.47 4.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.417 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 66.6 m-80 -64.27 -63.38 1.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.29 -30.11 13.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.445 ' OG ' ' CB ' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -75.34 -19.23 59.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.986 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -55.88 -27.33 50.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -50.13 -58.08 6.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 110.036 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.25 -45.71 7.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 132.13 -170.53 21.75 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.958 HD12 ' HE1' ' A' ' 104' ' ' MET . 26.5 mt -40.17 -66.17 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 0.754 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.7 56.04 1.37 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.463 1.102 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.62 ' HA ' HD13 ' A' ' 63' ' ' ILE . 2.9 m -145.78 154.0 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 0.776 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.899 ' C ' HD23 ' A' ' 43' ' ' LEU . 1.4 p -99.86 133.64 43.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.899 HD23 ' C ' ' A' ' 42' ' ' SER . 5.1 mt -124.06 179.42 4.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.76 145.68 27.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.93 109.0 2.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 110.959 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -85.92 138.85 31.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 0.781 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -129.17 150.1 50.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.3 133.02 55.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -90.54 -44.89 9.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -62.08 1.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 52.6 p -70.19 -42.76 71.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 110.364 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 92.39 33.04 7.82 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.597 HG23 ' N ' ' A' ' 54' ' ' ASP . 3.1 t -132.27 -162.22 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 0.748 . . . . 0.0 110.423 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.597 ' N ' HG23 ' A' ' 53' ' ' THR . 0.7 OUTLIER -115.69 117.82 31.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 74.6 mt -55.88 -30.74 62.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.37 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 130.37 -152.0 19.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.539 1.15 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.942 HG22 HD13 ' A' ' 80' ' ' LEU . 37.2 mm -111.49 164.17 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 88.0 m-85 -161.04 136.98 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.564 ' HA ' HD22 ' A' ' 43' ' ' LEU . 35.0 mt -69.25 147.51 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 42' ' ' SER . 4.7 ttpt -96.2 -54.99 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.95 161.57 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.954 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.674 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.8 mp -101.54 140.99 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.62 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.5 mp -97.07 105.35 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.415 ' ND1' ' CE1' ' A' ' 69' ' ' PHE . 5.9 m-70 -57.98 -179.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.631 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 45.07 35.04 4.51 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.33 -152.06 5.74 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.445 ' CB ' ' OG ' ' A' ' 34' ' ' SER . . . -87.55 -59.61 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 72' ' ' GLY . . . -52.86 -33.43 49.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.157 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.415 ' CE1' ' ND1' ' A' ' 64' ' ' HIS . 5.8 t80 -37.04 -44.19 0.51 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 111.026 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -55.39 -51.51 66.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' ARG . 0.6 OUTLIER -78.08 -12.66 60.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.674 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -36.72 -30.87 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.046 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASP . 8.2 ptp180 -38.97 -29.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 72' ' ' GLY . 13.5 mt -64.85 177.14 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -128.3 125.65 39.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 75' ' ' ARG . 1.7 ptt? -43.11 167.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.61 7.51 4.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.78 93.43 2.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -44.21 135.23 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.942 HD13 HG22 ' A' ' 57' ' ' ILE . 6.5 mp -97.1 103.44 15.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.703 ' HA ' HD21 ' A' ' 89' ' ' LEU . 35.7 pt -88.37 4.78 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.621 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 168.08 171.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.932 HG21 HD12 ' A' ' 100' ' ' LEU . 3.1 p -161.61 120.86 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 56.71 18.4 3.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.75 -16.86 54.18 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.432 ' HB2' HG13 ' A' ' 83' ' ' VAL . 17.8 mm-40 -69.18 162.33 27.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.95 135.73 50.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.381 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.67 HD12 ' HB3' ' A' ' 80' ' ' LEU . 40.8 mt -112.64 -33.75 6.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.703 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.5 mt -62.15 -26.36 68.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.53 -29.28 49.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -95.05 -161.33 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.01 -159.15 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.042 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.523 ' HA ' HD11 ' A' ' 57' ' ' ILE . 12.9 m120 -73.72 -49.71 24.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.422 ' CD2' ' H ' ' A' ' 95' ' ' GLU . 9.7 p-80 -63.92 -68.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.648 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.422 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 10.2 mt-10 -38.11 -67.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.586 ' HB1' HD22 ' A' ' 88' ' ' LEU . . . -40.07 -71.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.895 ' HE1' HD12 ' A' ' 43' ' ' LEU . 15.5 mmt -42.13 -49.91 4.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -59.79 -34.88 73.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 96' ' ' ALA . 0.8 OUTLIER -75.41 -37.8 60.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.932 HD12 HG21 ' A' ' 83' ' ' VAL . 7.7 tp -51.8 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 102' ' ' ARG . 1.3 ptt85 -56.23 -46.02 79.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.459 ' N ' ' CG ' ' A' ' 101' ' ' ARG . 19.3 ttt180 -52.52 -43.27 65.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 107' ' ' GLU . 3.1 m -62.76 -44.69 95.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.976 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.958 ' HE1' HD12 ' A' ' 39' ' ' LEU . 11.9 mtt -52.1 -29.57 22.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.2 OUTLIER -96.97 -57.02 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.008 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -59.08 3.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 103' ' ' SER . 19.7 mm-40 -67.81 -21.73 65.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -95.92 -8.59 57.94 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.483 ' CB ' ' O ' ' A' ' 105' ' ' SER . 2.1 t30 -80.09 -44.86 19.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.576 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -80.97 -36.2 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -87.69 -71.85 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 125.37 6.15 6.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.552 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 1.9 ptt? -157.97 -170.96 3.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 0.74 . . . . 0.0 111.013 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.671 ' CG2' HD21 ' A' ' 39' ' ' LEU . 15.9 tt -147.43 164.5 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.49 ' CG ' ' N ' ' A' ' 116' ' ' LEU . 8.3 tt0 -129.95 159.53 36.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.329 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.49 ' N ' ' CG ' ' A' ' 115' ' ' GLN . 51.2 mt -133.18 122.14 23.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.575 HG12 HD11 ' A' ' 81' ' ' ILE . 3.5 t -107.08 108.68 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.1 pp -104.37 151.49 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.418 1.074 . . . . 0.0 109.36 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.593 HD22 ' HB2' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -123.42 114.28 19.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.445 ' N ' HD13 ' A' ' 119' ' ' LEU . 18.2 ttp85 -99.38 105.15 17.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -88.54 -78.38 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.8 t -94.88 -59.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.975 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 154.06 71.94 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.479 1.779 . . . . 0.0 110.968 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 77.3 p -81.86 122.45 27.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.956 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 73.8 p -152.56 125.72 8.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.23 163.72 1.69 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.997 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 t 63.55 149.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.966 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.35 141.68 3.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 p -159.88 166.67 29.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.08 167.96 10.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.99 -154.24 7.84 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.77 -69.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 109.344 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 66.26 120.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.11 -78.06 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 62.01 141.22 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 0.763 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -58.77 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 60.57 105.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 172.09 117.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 108.319 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -144.19 138.2 27.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.076 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.91 123.27 3.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 19' ' ' LEU . 2.6 pp -136.32 171.15 14.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER 68.33 -70.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.032 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.422 ' CB ' ' O ' ' A' ' 18' ' ' SER . 0.3 OUTLIER 81.86 -70.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -117.65 159.18 23.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 110.264 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.4 m -107.79 85.81 2.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.594 ' HB3' HD21 ' A' ' 119' ' ' LEU . 9.1 m -157.27 149.18 22.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.672 ' O ' HD22 ' A' ' 119' ' ' LEU . 2.6 mt-10 -105.55 159.68 15.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -138.0 143.9 40.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.419 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 26.3 mt -122.96 140.97 52.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.504 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 29.9 m -125.15 106.78 10.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 0.0 110.403 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.688 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -113.5 123.03 49.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -84.08 142.9 30.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.0 mt -131.4 116.24 16.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.547 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.1 Cg_endo -75.04 130.46 13.26 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.979 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.484 HD11 ' CG2' ' A' ' 114' ' ' ILE . 15.6 mt -113.65 55.65 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.433 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 48.1 m-80 -87.08 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -87.04 -37.9 17.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.13 -45.11 43.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.016 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.463 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -39.98 -37.67 1.06 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -51.4 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.39 -38.39 10.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.66 177.8 15.21 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.553 1.158 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.824 HD21 HG21 ' A' ' 114' ' ' ILE . 26.8 mt -40.21 -71.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.12 40.17 1.71 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.476 HG12 ' HA ' ' A' ' 62' ' ' ILE . 2.6 m -142.92 157.22 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.883 ' C ' HD23 ' A' ' 43' ' ' LEU . 4.0 t -113.57 138.94 49.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.883 HD23 ' C ' ' A' ' 42' ' ' SER . 3.1 mt -115.51 176.23 5.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -139.04 141.97 38.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.45 123.67 7.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -105.51 142.84 34.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 0.798 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -125.85 148.84 49.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.08 137.23 50.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.39 -52.69 4.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -41.15 -67.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.29 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p -68.71 -45.67 70.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.43 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.98 48.51 3.11 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.4 m -150.47 161.91 41.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 110.401 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.75 109.93 14.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.235 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.442 ' O ' ' NE2' ' A' ' 79' ' ' GLN . 68.1 mt -46.55 -41.9 15.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.74 -164.78 26.66 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.03 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.817 HD11 ' HA ' ' A' ' 93' ' ' ASN . 45.8 mm -98.84 133.34 41.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 0.746 . . . . 0.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -125.09 128.16 48.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.518 HD12 ' HB2' ' A' ' 78' ' ' ASP . 53.4 mt -52.68 147.56 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 76' ' ' MET . 1.9 ttpt -100.29 -56.14 2.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 p -173.67 152.68 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.657 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.0 mp -98.2 132.1 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.5 mp -84.76 153.78 3.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -103.04 152.6 21.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.616 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.11 16.78 60.34 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.68 -164.79 10.65 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.75 -44.41 20.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.478 ' HB1' HG23 ' A' ' 62' ' ' ILE . . . -48.66 -46.35 40.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 69' ' ' PHE . 1.7 t80 -37.38 -44.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -53.63 -50.78 64.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.465 ' OD1' ' CB ' ' A' ' 27' ' ' LEU . 34.5 t70 -80.5 -13.1 59.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.657 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -43.05 -25.24 0.35 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.421 ' N ' ' C ' ' A' ' 71' ' ' ASP . 12.7 ptp180 -41.4 -27.66 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 0.727 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.609 HD11 HD23 ' A' ' 27' ' ' LEU . 24.1 mt -69.9 174.93 4.74 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 76' ' ' MET . 6.7 mmt85 -122.42 128.06 50.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.442 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -39.98 161.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 111.008 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 76' ' ' MET . 1.1 m-20 75.12 39.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.518 ' HB2' HD12 ' A' ' 59' ' ' ILE . 4.9 m-20 -104.6 92.01 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 55' ' ' LEU . 12.1 tt0 -45.59 128.15 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.483 HD13 HG22 ' A' ' 57' ' ' ILE . 4.7 mp -89.97 88.01 7.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.095 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.727 HD11 HG12 ' A' ' 117' ' ' VAL . 27.1 pt -66.52 -10.7 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -177.2 -178.5 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.821 HG21 HD12 ' A' ' 100' ' ' LEU . 2.4 p -165.63 116.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.94 20.35 12.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.09 -9.57 65.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.964 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -87.57 139.15 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 110.337 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -77.27 149.28 35.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.645 HD21 HG11 ' A' ' 83' ' ' VAL . 57.4 mt -121.66 -44.03 2.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.663 HD11 HG22 ' A' ' 81' ' ' ILE . 2.7 mt -51.07 -41.2 59.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.1 -29.88 45.35 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -97.76 -165.86 1.31 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.744 . . . . 0.0 109.282 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 58.9 m -110.01 -176.43 3.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.817 ' HA ' HD11 ' A' ' 57' ' ' ILE . 54.8 m-20 -57.68 -47.91 80.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.472 ' CD2' ' H ' ' A' ' 95' ' ' GLU . 7.3 p-80 -64.23 -73.44 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.611 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.472 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 13.4 mt-10 -38.04 -64.07 0.43 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 110.316 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.99 -69.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 17.5 mmm -47.85 -31.52 5.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -68.14 -33.58 74.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 96' ' ' ALA . 1.1 m -69.09 -46.2 68.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.821 HD12 HG21 ' A' ' 83' ' ' VAL . 10.4 tp -43.94 -74.32 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -43.07 -37.01 1.82 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -58.3 9.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 107' ' ' GLU . 8.3 p -61.32 -38.29 86.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.04 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.533 ' SD ' HD12 ' A' ' 39' ' ' LEU . 37.9 mtp -57.87 -29.41 65.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.419 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 2.4 t -96.36 -32.81 12.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.969 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.695 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -86.7 -68.92 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.611 ' HA ' HD11 ' A' ' 110' ' ' ILE . 5.5 mm-40 -53.82 -20.62 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.463 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -94.74 -7.23 60.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.503 1.127 . . . . 0.0 110.984 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 105' ' ' SER . 3.6 m-20 -91.96 -56.15 3.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 106' ' ' MET . 0.3 OUTLIER -77.64 -40.19 27.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -95.75 -73.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.463 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 116.57 13.38 8.11 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.547 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 2.1 mtp -140.47 172.31 12.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.824 HG21 HD21 ' A' ' 39' ' ' LEU . 15.6 tt -147.91 140.14 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.504 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 13.8 tt0 -109.49 148.41 31.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.406 ' N ' ' HG2' ' A' ' 115' ' ' GLN . 78.4 mt -128.45 117.66 21.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.727 HG12 HD11 ' A' ' 81' ' ' ILE . 25.5 t -102.31 109.95 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.45 ' CG2' ' HB3' ' A' ' 78' ' ' ASP . 1.8 pp -103.54 160.24 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.672 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.2 tm? -125.44 124.06 40.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.6 127.39 48.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -85.4 166.63 16.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.78 -65.13 0.61 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.991 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -163.65 132.78 2.83 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 60.95 5.56 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.551 1.816 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.4 m 45.52 82.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.997 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -142.01 97.9 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 110.006 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.89 137.3 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 0.788 . . . . 0.0 109.999 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -178.19 167.3 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.007 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.84 121.46 0.57 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 110.976 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.07 125.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.024 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.88 169.75 0.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.5 148.62 20.24 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.476 HD13 ' N ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -175.52 127.47 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 0.735 . . . . 0.0 109.297 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' N ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -97.39 63.01 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.68 156.18 13.61 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -91.64 150.77 41.58 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 0.779 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -47.52 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.458 1.767 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.46 111.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -115.74 158.32 23.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 108.285 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -125.24 133.36 52.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.92 174.17 7.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 pp -147.69 155.79 42.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.7 t 63.63 165.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 mt -96.51 174.98 6.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.12 156.36 33.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 t 66.49 -175.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.561 ' HB3' HD21 ' A' ' 119' ' ' LEU . 4.6 m -56.73 171.28 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.694 ' O ' HD22 ' A' ' 119' ' ' LEU . 2.3 mp0 -107.34 158.38 17.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.426 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -145.73 144.58 30.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.426 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 21.7 mt -119.96 138.58 53.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.455 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 3.4 m -107.81 106.18 16.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.1 mm? -99.85 132.03 45.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -115.0 117.53 30.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -117.37 122.1 31.41 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.715 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.2 Cg_endo -75.03 145.71 31.67 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.436 1.756 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.715 HD23 ' O ' ' A' ' 30' ' ' PRO . 20.2 mt -122.81 37.49 4.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 59.7 m-80 -66.74 -63.23 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -94.95 -28.52 15.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -75.04 -35.1 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.026 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -42.75 -38.05 3.01 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.5 OUTLIER -39.02 -63.34 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.024 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.17 -22.49 18.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 112.82 -175.54 16.83 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.692 HD12 ' CE ' ' A' ' 104' ' ' MET . 17.9 mt -39.72 -67.11 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.69 47.27 1.4 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.621 HG13 ' CB ' ' A' ' 68' ' ' ALA . 3.3 m -141.72 157.51 20.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 0.779 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.939 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -115.83 139.77 49.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.005 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.939 HD23 ' C ' ' A' ' 42' ' ' SER . 3.1 mt -119.52 177.2 5.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' HG23 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -129.52 175.89 8.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.71 129.36 5.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.32 123.73 49.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 0.793 . . . . 0.0 109.298 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -110.78 139.92 45.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.426 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 0.4 OUTLIER -104.4 133.65 48.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -84.83 -31.12 24.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.87 -54.04 51.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.6 p -86.64 -3.53 59.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 110.38 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.46 39.82 37.7 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.501 1.125 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.59 HG23 ' N ' ' A' ' 54' ' ' ASP . 11.2 t -140.48 -151.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 0.766 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.59 ' N ' HG23 ' A' ' 53' ' ' THR . 1.2 p30 -114.07 150.45 33.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.1 mt -91.49 -39.75 11.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.06 -160.93 28.25 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.905 HD11 ' HA ' ' A' ' 93' ' ' ASN . 12.4 mm -115.54 132.67 64.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 0.783 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -123.34 131.6 53.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.635 HD12 ' HB2' ' A' ' 78' ' ' ASP . 53.1 mt -46.55 146.77 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.28 -57.42 2.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 p -176.86 130.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.633 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.0 mp -72.21 141.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.2 mp -94.0 96.84 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.75 153.86 31.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.595 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.01 7.78 80.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.431 1.082 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.89 -147.2 6.51 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.411 ' C ' ' N ' ' A' ' 69' ' ' PHE . . . -85.64 -62.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.621 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -43.16 -27.94 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.411 ' N ' ' C ' ' A' ' 67' ' ' ALA . 12.6 t80 -48.12 -48.56 33.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -44.61 -72.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.43 ' C ' ' N ' ' A' ' 73' ' ' ARG . 0.6 OUTLIER -66.01 -11.84 50.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.633 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -44.41 -21.81 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.43 ' N ' ' C ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -36.55 -31.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.77 . . . . 0.0 110.314 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 72' ' ' GLY . 28.2 mt -69.56 -171.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -138.38 150.81 46.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.273 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 2.5 ptm -49.94 160.51 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' ' 76' ' ' MET . 4.7 m-20 79.33 50.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.635 ' HB2' HD12 ' A' ' 59' ' ' ILE . 5.1 m-20 -118.28 95.88 5.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -52.95 134.41 37.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.598 ' HB3' HD12 ' A' ' 88' ' ' LEU . 6.0 mp -98.6 93.51 6.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.898 HG22 HD11 ' A' ' 89' ' ' LEU . 16.5 pt -73.42 -4.45 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 175.37 -172.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.035 HG21 HD12 ' A' ' 100' ' ' LEU . 2.6 p -176.95 123.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 61.19 19.56 10.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.24 -9.18 69.8 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -90.16 131.84 35.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.761 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.53 155.54 39.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.598 HD12 ' HB3' ' A' ' 80' ' ' LEU . 71.0 mt -124.01 -43.79 2.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.898 HD11 HG22 ' A' ' 81' ' ' ILE . 2.9 mt -51.39 -43.89 62.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.4 -32.16 60.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -89.35 -158.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.351 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.568 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -114.55 -172.33 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.976 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.905 ' HA ' HD11 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -68.93 -31.39 70.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 13.6 p-80 -79.86 -67.74 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.599 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.413 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 8.7 mt-10 -42.34 -62.82 0.87 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.434 ' HB1' HD22 ' A' ' 88' ' ' LEU . . . -39.89 -72.34 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.724 ' SD ' HG21 ' A' ' 57' ' ' ILE . 43.3 mmm -46.36 -44.99 17.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -60.27 -32.38 71.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.408 ' HB ' ' O ' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -73.7 -38.45 64.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.37 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.035 HD12 HG21 ' A' ' 83' ' ' VAL . 8.8 tp -51.15 -71.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.421 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 0.0 OUTLIER -47.84 -23.78 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.489 ' O ' ' CB ' ' A' ' 106' ' ' MET . 8.6 ttt85 -78.1 -58.88 3.02 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 41.8 m -58.51 -14.2 7.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.034 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.692 ' CE ' HD12 ' A' ' 39' ' ' LEU . 15.2 mtt -68.82 -56.56 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.947 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.4 OUTLIER -97.61 -33.21 11.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.028 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -68.34 -54.57 16.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.996 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 103' ' ' SER . 3.8 mm-40 -85.33 -17.96 35.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 112' ' ' GLY . . . -93.6 -8.54 60.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.475 1.11 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 105' ' ' SER . 2.1 m-20 -68.32 -47.44 67.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.677 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -87.36 -32.44 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -81.2 -63.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 108' ' ' GLY . . . 111.29 14.57 11.59 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.483 1.114 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.557 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -168.54 -174.2 2.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 0.763 . . . . 0.0 111.006 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.673 HD13 HD11 ' A' ' 39' ' ' LEU . 9.5 tt -143.36 154.78 16.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 83' ' ' VAL . 11.6 tt0 -120.11 147.44 44.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.442 HD23 HG23 ' A' ' 83' ' ' VAL . 28.2 mt -126.31 118.66 25.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.691 HG12 HD11 ' A' ' 81' ' ' ILE . 20.1 t -103.21 114.83 43.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.6 pp -109.13 161.91 7.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.694 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.4 tm? -125.38 131.0 53.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 34.6 ttp180 -129.2 140.89 51.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -88.59 162.66 16.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -55.97 24.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -136.15 -146.28 5.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -32.47 5.31 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 43.5 t 55.61 102.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.1 m -132.77 125.88 31.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.989 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.9 t -174.06 145.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.13 148.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.01 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.37 -174.43 46.97 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 t -92.84 84.39 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.2 p -173.95 156.1 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.88 91.16 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.452 HD13 ' C ' ' A' ' 8' ' ' LEU . 1.7 tm? -170.33 -65.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 0.8 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.63 102.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.49 174.94 13.88 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -111.06 157.49 38.6 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.767 . . . . 0.0 110.34 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -50.14 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.525 1.803 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.78 115.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.2 m -110.57 155.01 22.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.19 148.14 37.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.82 177.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 48.08 -172.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.94 160.08 41.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 mt -95.78 37.53 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 44.51 -161.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.9 t -79.08 129.62 34.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.025 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.826 ' HB2' HD21 ' A' ' 119' ' ' LEU . 19.2 m -67.94 176.25 2.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.819 ' O ' HD22 ' A' ' 119' ' ' LEU . 7.5 mt-10 -87.37 123.33 32.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.585 ' OE1' HD11 ' A' ' 81' ' ' ILE . 7.2 tt0 -131.59 144.99 51.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.437 1.086 . . . . 0.0 110.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.538 ' HB3' HD21 ' A' ' 27' ' ' LEU . 29.0 mt -139.95 130.72 25.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.501 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 17.0 m -110.49 103.31 11.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.377 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.666 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.3 mm? -108.02 119.42 39.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -94.93 141.29 28.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.7 mt -129.34 127.54 23.15 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.657 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.03 145.23 31.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.442 1.759 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.683 HD12 ' O ' ' A' ' 104' ' ' MET . 33.4 mt -124.22 38.69 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.44 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 44.5 m-80 -70.41 -63.42 1.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.24 -30.66 18.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.71 -33.44 60.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -37.57 -41.4 0.82 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -39.97 -62.12 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.971 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.3 -43.75 8.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 134.67 -171.46 22.32 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.895 HD21 ' CG2' ' A' ' 114' ' ' ILE . 19.5 mt -39.67 -66.49 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.76 . . . . 0.0 109.297 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.25 40.46 1.65 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.537 HG12 ' HA ' ' A' ' 62' ' ' ILE . 3.0 m -146.7 153.13 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.959 ' C ' HD23 ' A' ' 43' ' ' LEU . 17.7 t -111.92 150.66 30.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.959 HD23 ' C ' ' A' ' 42' ' ' SER . 2.7 mt -118.44 168.19 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.504 ' NZ ' ' ND2' ' A' ' 77' ' ' ASN . 1.4 pttt -127.96 142.68 51.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.16 138.24 13.94 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.562 1.164 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -123.96 129.61 51.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -120.99 147.89 44.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.63 135.05 52.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.996 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -88.16 -38.2 15.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.12 -64.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 75.3 p -75.86 -42.4 49.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.43 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.63 47.23 4.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.437 1.086 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.3 m -143.85 166.64 24.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 0.726 . . . . 0.0 110.426 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -89.9 103.92 16.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.7 mt -48.26 -45.73 34.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.15 -140.09 8.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.797 HD11 ' HA ' ' A' ' 93' ' ' ASN . 16.4 mm -120.58 146.75 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.506 ' CE2' ' HB2' ' A' ' 79' ' ' GLN . 26.5 m-85 -137.44 124.16 21.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.5 ' HA ' HD22 ' A' ' 43' ' ' LEU . 13.5 mt -40.87 145.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 76' ' ' MET . 1.3 ttmm -100.15 -53.32 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 80.0 p -174.4 157.74 2.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.81 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.2 mp -104.59 127.58 58.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.507 HD12 ' N ' ' A' ' 63' ' ' ILE . 4.0 mp -86.98 113.19 24.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -64.79 166.85 8.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.57 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.02 23.04 76.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -130.46 -165.08 11.48 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.81 -37.22 24.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 0.754 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -66.46 -36.33 82.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -39.69 -40.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 111.004 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -53.44 -46.87 70.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' ALA . 19.0 t0 -88.76 -13.15 40.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.81 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -40.36 -27.01 0.14 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.542 1.151 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -39.43 -28.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 110.324 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' GLY . 30.4 mt -63.76 -175.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -131.88 131.8 43.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.433 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -45.49 172.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.504 ' ND2' ' NZ ' ' A' ' 44' ' ' LYS . 1.2 m-20 69.35 24.22 5.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.454 ' O ' HD12 ' A' ' 80' ' ' LEU . 21.5 m-20 -89.47 103.08 15.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.506 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 57.7 tt0 -54.13 135.06 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.693 ' HB3' HD12 ' A' ' 88' ' ' LEU . 6.2 mp -97.93 100.13 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.83 HG22 HD11 ' A' ' 89' ' ' LEU . 14.7 pt -86.99 7.73 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.686 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 163.58 176.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.003 HG21 ' CD1' ' A' ' 100' ' ' LEU . 2.4 p -169.89 116.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 68.54 11.84 8.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 102.78 -14.6 56.12 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -82.87 132.68 35.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.773 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.75 157.5 37.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 110.386 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.693 HD12 ' HB3' ' A' ' 80' ' ' LEU . 93.1 mt -127.66 -45.33 1.47 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.83 HD11 HG22 ' A' ' 81' ' ' ILE . 3.3 mt -51.41 -44.1 62.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.32 -27.14 65.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.476 1.11 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -91.25 -172.45 3.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.52 172.39 6.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.797 ' HA ' HD11 ' A' ' 57' ' ' ILE . 19.7 m120 -56.55 -29.7 62.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -80.68 -71.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.632 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -41.65 -59.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' O ' ' HB ' ' A' ' 99' ' ' THR . . . -40.0 -71.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.1 mmm -47.53 -42.0 22.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -30.45 71.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -76.4 -39.9 52.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.4 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.003 ' CD1' HG21 ' A' ' 83' ' ' VAL . 14.4 tp -49.17 -71.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -43.74 -26.43 0.25 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 106' ' ' MET . 0.0 OUTLIER -78.94 -56.49 4.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 17.2 m -56.89 -13.55 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.958 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.7 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 18.9 mtt -72.2 -59.13 2.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 109' ' ' ASN . 21.1 m -98.49 -39.12 8.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.523 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -58.95 -42.54 90.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 111.018 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.422 ' HB2' ' O ' ' A' ' 103' ' ' SER . 10.0 mm-40 -98.29 -21.56 16.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 104' ' ' MET . . . -89.46 -9.56 66.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 106' ' ' MET . 6.3 p30 -66.37 -43.9 84.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.635 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -96.77 -36.01 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.41 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 2.9 tpt85 -73.18 -54.67 7.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 99.0 20.2 19.27 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.543 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 15.6 ptt? -179.36 171.64 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.895 ' CG2' HD21 ' A' ' 39' ' ' LEU . 15.5 tt -129.97 159.01 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.501 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 13.0 tt0 -124.1 149.43 46.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.401 ' N ' ' HG2' ' A' ' 115' ' ' GLN . 72.4 mt -128.09 121.83 30.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.546 HG12 HD11 ' A' ' 81' ' ' ILE . 3.9 t -104.82 111.52 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.1 pp -104.88 152.13 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.826 HD21 ' HB2' ' A' ' 22' ' ' SER . 3.4 tm? -136.57 119.98 16.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.26 150.88 35.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -123.01 178.05 5.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 72.1 p -57.86 -64.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 149.22 -112.51 0.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.52 1.138 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -21.79 15.51 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.24 -73.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 66.0 m -119.63 96.19 5.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.07 170.38 20.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 0.783 . . . . 0.0 109.962 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.14 113.25 7.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.947 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.43 -169.26 30.27 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 p -162.5 172.9 14.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -164.64 168.04 18.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.0 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.38 155.51 20.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.697 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -125.43 93.25 3.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.335 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.05 146.42 33.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.5 173.07 38.72 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 111.059 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -150.75 92.95 3.8 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.519 0.776 . . . . 0.0 110.279 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 75.93 3.55 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.78 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -134.22 114.26 12.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -169.91 164.12 9.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 108.327 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -169.52 167.52 9.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.39 142.0 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 pp -132.22 161.6 33.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.341 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.13 153.27 51.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.1 mt -110.72 152.17 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.87 150.09 23.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 110.31 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.63 159.2 11.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.497 ' CB ' HD21 ' A' ' 119' ' ' LEU . 3.4 m -94.9 164.56 12.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 110.017 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.693 ' O ' HD22 ' A' ' 119' ' ' LEU . 7.4 mt-10 -110.16 126.5 54.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 118' ' ' ILE . 0.4 OUTLIER -125.3 139.24 53.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.244 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.4 mt -116.88 143.45 45.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.567 ' C ' HD22 ' A' ' 27' ' ' LEU . 38.3 m -121.88 112.09 17.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.693 ' HG ' HD11 ' A' ' 74' ' ' LEU . 1.6 mm? -107.65 139.14 42.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -107.97 110.62 22.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.474 ' CD1' HD12 ' A' ' 116' ' ' LEU . 11.9 mt -110.55 115.28 54.09 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.657 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -74.98 144.04 29.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.478 1.778 . . . . 0.0 110.965 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.659 HD11 ' CG2' ' A' ' 114' ' ' ILE . 16.6 mt -127.51 56.81 1.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 10.3 m-80 -92.61 -62.91 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -84.44 -43.09 14.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.85 -29.33 58.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -46.39 -42.54 13.47 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' GLY . 25.3 t -38.32 -48.97 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.015 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.66 -36.8 12.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.33 -169.35 19.18 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.931 HD21 HG21 ' A' ' 114' ' ' ILE . 28.3 mt -48.18 -68.25 0.2 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 0.797 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.91 42.69 2.22 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.585 ' HA ' HD13 ' A' ' 63' ' ' ILE . 3.0 m -141.83 154.52 19.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.901 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -110.21 136.18 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.977 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.901 HD23 ' C ' ' A' ' 42' ' ' SER . 3.3 mt -117.39 175.72 5.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.492 ' CD ' ' HB2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -125.92 175.85 7.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.88 110.18 0.68 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -98.66 148.6 23.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.4 148.89 50.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.18 119.23 38.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -87.74 -33.5 18.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.02 -21.03 43.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.0 p -123.57 -41.72 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.45 16.73 26.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.8 m -109.55 168.13 9.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.378 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.07 116.52 28.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.6 mt -54.56 -40.64 68.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 142.69 -139.3 8.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.112 . . . . 0.0 111.051 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.568 HG22 HD13 ' A' ' 80' ' ' LEU . 16.3 mm -135.05 142.37 40.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.576 ' CD1' ' N ' ' A' ' 58' ' ' PHE . 1.3 m-85 -133.18 145.06 50.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.51 ' HA ' HD22 ' A' ' 43' ' ' LEU . 42.3 mt -63.18 146.5 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 76' ' ' MET . 0.3 OUTLIER -97.19 -56.83 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.86 142.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.041 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.666 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.8 mp -84.33 137.7 20.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.585 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.2 mp -91.17 156.63 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.413 ' CD2' ' N ' ' A' ' 64' ' ' HIS . 0.2 OUTLIER -107.66 142.61 37.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 95.4 15.79 42.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -129.67 -155.57 8.49 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.34 -36.19 14.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 0.73 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -61.89 -42.03 98.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -38.57 -44.23 0.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -58.08 -48.5 79.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.537 ' OD2' HD12 ' A' ' 74' ' ' LEU . 22.2 t70 -77.02 -13.15 59.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.666 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.44 -30.06 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.122 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 71' ' ' ASP . 7.1 ptt180 -37.46 -31.02 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.693 HD11 ' HG ' ' A' ' 27' ' ' LEU . 30.7 mt -66.55 -172.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.44 ' CD ' ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -139.52 130.43 26.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.311 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.466 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.5 OUTLIER -44.11 167.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 76' ' ' MET . 2.2 m120 79.67 3.36 2.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.45 94.54 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -49.91 137.1 17.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.6 ' HB3' HD12 ' A' ' 88' ' ' LEU . 4.6 mp -96.78 93.25 6.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.699 ' HA ' HD21 ' A' ' 89' ' ' LEU . 16.1 pt -77.61 -1.76 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 172.74 177.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.991 HG21 HD12 ' A' ' 100' ' ' LEU . 2.1 p -169.93 119.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.05 19.46 11.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.28 -9.08 75.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 110.962 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -85.79 144.45 27.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 110.264 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.65 152.82 29.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 80' ' ' LEU . 82.9 mt -125.46 -45.61 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.349 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.699 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.1 mt -52.16 -48.39 64.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.56 -23.73 44.24 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -93.0 -170.21 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.565 0.803 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.6 m -105.56 -178.63 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.563 ' HA ' HD11 ' A' ' 57' ' ' ILE . 21.6 m120 -64.58 -28.5 69.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -84.17 -70.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.635 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 99' ' ' THR . 3.9 mt-10 -39.32 -58.09 1.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.424 ' O ' ' HB ' ' A' ' 99' ' ' THR . . . -42.6 -72.89 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.464 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 59.6 mmm -50.31 -33.48 20.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -70.91 -24.76 62.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.345 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -78.51 -37.14 43.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.352 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.991 HD12 HG21 ' A' ' 83' ' ' VAL . 8.1 tp -48.61 -66.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -46.99 -38.55 10.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 13.0 mmt180 -65.35 -60.89 2.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 26.4 m -61.82 -12.75 18.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.737 ' SD ' HD12 ' A' ' 39' ' ' LEU . 27.1 mtp -82.31 -40.31 21.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.3 OUTLIER -98.03 -37.94 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.026 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -76.5 -66.83 0.76 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 111' ' ' ARG . 16.7 mm-40 -65.27 -21.27 66.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -93.94 -9.53 59.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.518 1.136 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 105' ' ' SER . 1.5 m-20 -72.29 -38.19 68.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 0.804 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.829 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -96.11 -36.01 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.438 ' N ' HG12 ' A' ' 110' ' ' ILE . 1.1 mmp_? -78.77 -56.24 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.0 9.89 44.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.544 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 2.6 ptt? -159.78 -174.0 4.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.931 HG21 HD21 ' A' ' 39' ' ' LEU . 11.0 tt -145.33 151.68 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.479 ' NE2' ' CG2' ' A' ' 26' ' ' THR . 20.2 tt0 -117.43 141.08 48.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 110.282 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.474 HD12 ' CD1' ' A' ' 29' ' ' ILE . 61.0 mt -119.1 123.9 45.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.475 HG12 HD11 ' A' ' 81' ' ' ILE . 18.2 t -107.76 109.13 27.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 1.3 pp -106.82 143.31 17.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.2 tm? -116.9 126.88 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.58 145.33 34.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.73 161.35 20.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.0 p -48.05 -68.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 144.81 74.5 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 2.91 6.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.479 1.778 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 71.0 m -122.75 175.86 6.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.027 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 95.1 p -126.01 148.8 49.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.533 1.145 . . . . 0.0 110.961 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -147.74 -58.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.98 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.4 t 62.39 160.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.76 120.44 0.52 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.4 p -178.09 156.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.963 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.92 151.35 1.76 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.122 . . . . 0.0 109.977 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.29 149.56 5.51 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.633 HD23 ' H ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -132.96 -146.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 0.775 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.633 ' H ' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -123.98 176.24 6.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.62 142.87 7.06 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -178.96 112.88 0.21 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 0.777 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 68.45 5.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.54 1.81 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -65.63 95.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -155.36 120.54 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 108.296 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -146.08 163.27 35.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.627 ' C ' HD23 ' A' ' 17' ' ' LEU . . . -162.44 136.84 6.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.627 HD23 ' C ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -120.05 -88.8 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.2 t 60.96 110.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.02 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 47.76 -173.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -74.92 112.7 11.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.4 p -130.22 94.64 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.977 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.459 ' HB3' HD21 ' A' ' 119' ' ' LEU . 67.2 m -141.79 163.39 33.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.77 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -95.1 134.61 37.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.307 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.565 ' HG3' HD11 ' A' ' 81' ' ' ILE . 1.0 OUTLIER -143.08 136.47 28.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.509 ' HB2' HD11 ' A' ' 118' ' ' ILE . 34.5 mt -113.46 152.55 29.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.713 HG23 ' OE1' ' A' ' 115' ' ' GLN . 18.7 m -124.47 112.74 17.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.402 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.715 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -116.68 116.33 27.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.94 144.79 25.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.4 mt -135.18 121.34 14.38 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.803 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.95 144.67 30.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.981 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.803 HD23 ' O ' ' A' ' 30' ' ' PRO . 26.3 mt -127.88 53.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.427 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 12.4 m-80 -89.97 -61.97 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -87.96 -44.5 10.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.864 ' OG ' ' HB2' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -74.62 -23.26 58.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.002 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -51.97 -38.33 46.58 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -39.05 -51.29 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.571 0.806 . . . . 0.0 110.038 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.2 -36.06 12.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.76 -177.53 16.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.447 1.092 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.841 HD11 HD13 ' A' ' 114' ' ' ILE . 21.6 mt -40.54 -68.68 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.3 37.66 3.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.539 ' CG1' ' CB ' ' A' ' 68' ' ' ALA . 4.2 m -128.72 151.3 35.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.5 0.765 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.923 ' C ' HD23 ' A' ' 43' ' ' LEU . 1.2 t -111.02 137.14 49.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 110.031 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.923 HD23 ' C ' ' A' ' 42' ' ' SER . 2.6 mt -115.74 164.21 14.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.34 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.33 136.67 53.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -92.66 125.81 8.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -108.36 115.37 29.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 109.348 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 48' ' ' SER . 1.5 tmtt? -113.05 142.66 45.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.413 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -96.09 136.23 36.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -91.27 -21.73 20.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.72 -48.41 40.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 58.8 p -116.44 -31.46 5.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.103 . . . . 0.0 110.423 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 101.96 19.38 15.13 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.28 -177.37 5.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 0.783 . . . . 0.0 110.367 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.66 107.57 17.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.4 mt -52.82 -33.05 47.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.05 -161.92 24.19 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.67 HD11 ' HA ' ' A' ' 93' ' ' ASN . 29.1 mm -101.24 160.19 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 87.3 m-85 -158.8 126.05 4.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.489 ' HA ' HD22 ' A' ' 43' ' ' LEU . 43.6 mt -47.29 146.39 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.88 -49.56 3.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.41 150.39 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.948 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.698 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.7 mp -92.77 137.16 22.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 41' ' ' VAL . 2.2 mp -91.94 108.72 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -65.16 166.41 9.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.587 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.0 16.91 60.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.541 1.15 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.03 -155.42 9.41 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.864 ' HB2' ' OG ' ' A' ' 34' ' ' SER . . . -88.13 -45.24 10.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.539 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . -60.87 -33.94 73.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.137 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -38.27 -42.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -54.69 -49.58 70.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 73' ' ' ARG . 44.9 t0 -81.36 -12.8 58.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.698 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -38.51 -28.53 0.06 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.106 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 71' ' ' ASP . 4.1 ttp180 -36.5 -32.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.683 HD11 ' HG ' ' A' ' 27' ' ' LEU . 30.5 mt -64.06 -172.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.23 132.57 28.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.438 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.1 OUTLIER -38.87 159.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.98 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 76' ' ' MET . 1.8 m-20 77.42 49.08 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.694 ' O ' HD12 ' A' ' 80' ' ' LEU . 55.7 m-20 -112.47 97.02 6.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.457 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 44.1 tt0 -52.66 129.18 28.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.694 HD12 ' O ' ' A' ' 78' ' ' ASP . 7.0 mp -94.0 88.56 5.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.771 HD11 HG12 ' A' ' 117' ' ' VAL . 21.4 pt -66.5 -11.41 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 177.18 -175.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.966 HG21 HD12 ' A' ' 100' ' ' LEU . 2.6 p -164.84 120.46 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.406 ' ND2' ' HB2' ' A' ' 103' ' ' SER . 2.9 m-20 58.74 24.59 12.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.03 -8.24 76.13 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.779 ' HG2' HG21 ' A' ' 99' ' ' THR . 0.7 OUTLIER -88.85 123.66 33.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.753 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.27 166.53 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.408 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.492 HD11 ' CG1' ' A' ' 83' ' ' VAL . 50.9 mt -141.55 -46.25 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.746 HD11 HG22 ' A' ' 81' ' ' ILE . 3.3 mt -49.55 -36.92 25.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.42 -26.43 71.77 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 88' ' ' LEU . 6.5 mttt -90.35 -170.77 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.576 0.809 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.519 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.4 OUTLIER -102.17 -169.93 1.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.971 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.67 ' HA ' HD11 ' A' ' 57' ' ' ILE . 80.5 m-20 -72.87 -27.97 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.519 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 14.1 p-80 -84.95 -68.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.597 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.444 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 6.5 mt-10 -39.6 -63.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -39.71 -69.62 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 51.0 mmm -48.49 -31.2 6.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -70.29 -28.25 65.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.779 HG21 ' HG2' ' A' ' 86' ' ' GLU . 3.0 m -75.51 -46.59 31.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.966 HD12 HG21 ' A' ' 83' ' ' VAL . 9.7 tp -47.95 -68.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.44 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 24.1 ptt180 -50.4 -21.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.49 ' O ' ' CB ' ' A' ' 106' ' ' MET . 3.6 ttt85 -77.09 -55.38 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.3 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.434 ' O ' ' HB2' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -61.28 -13.11 16.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.969 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.77 ' CE ' HD12 ' A' ' 39' ' ' LEU . 14.1 mtt -72.12 -52.43 16.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.482 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.6 OUTLIER -97.11 -28.54 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.029 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.49 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -74.81 -61.72 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.165 . . . . 0.0 111.023 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.475 ' O ' ' CG ' ' A' ' 111' ' ' ARG . 14.3 mt-10 -77.5 -37.4 51.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.5 -9.5 55.4 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.467 1.105 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.482 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.0 OUTLIER -70.9 -50.08 38.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 0.783 . . . . 0.0 109.311 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.732 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -97.9 -35.83 5.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 107' ' ' GLU . 1.7 mmt180 -71.83 -47.59 52.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 86.25 11.03 73.27 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.418 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -163.33 176.52 9.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 0.747 . . . . 0.0 110.967 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.841 HD13 HD11 ' A' ' 39' ' ' LEU . 16.2 tt -138.28 139.69 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.713 ' OE1' HG23 ' A' ' 26' ' ' THR . 2.1 tt0 -106.37 149.62 26.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.507 ' CD2' HD11 ' A' ' 100' ' ' LEU . 35.5 mt -131.0 123.04 27.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.771 HG12 HD11 ' A' ' 81' ' ' ILE . 4.7 t -103.59 120.07 53.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.509 HD11 ' HB2' ' A' ' 25' ' ' LEU . 1.6 pp -113.09 156.13 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.77 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -127.23 121.21 30.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 24.1 ttm-85 -134.44 130.36 36.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.2 mtt180 -60.43 158.93 11.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.282 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.31 -69.38 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.066 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 153.95 71.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 1.38 7.82 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.492 1.785 . . . . 0.0 110.965 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.9 170.76 4.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.94 113.59 19.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.985 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.98 154.7 21.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.777 . . . . 0.0 109.983 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -54.56 140.08 36.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.049 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.49 171.29 17.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -122.5 173.82 7.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 0.756 . . . . 0.0 110.052 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -89.62 173.03 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.82 -126.72 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -174.69 135.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 109.268 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -40.55 150.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.86 163.06 11.02 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -91.68 116.49 66.55 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -42.68 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.556 1.819 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -171.8 150.23 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 15' ' ' TYR . 18.3 m -52.61 125.05 15.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 108.291 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.411 ' O ' ' O ' ' A' ' 14' ' ' CYS . 2.5 t80 56.47 114.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.97 108.79 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 pp -162.04 155.56 21.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -123.54 145.2 49.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -101.93 164.14 11.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -78.61 147.2 33.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.84 151.92 30.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.585 ' HB2' HD21 ' A' ' 119' ' ' LEU . 20.0 m -65.24 -178.39 0.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.008 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.871 ' O ' HD22 ' A' ' 119' ' ' LEU . 4.6 mm-40 -98.83 132.67 44.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 110.313 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.486 ' HG3' HD11 ' A' ' 81' ' ' ILE . 0.8 OUTLIER -137.21 137.79 39.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 mt -126.31 144.78 50.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.546 ' C ' HD22 ' A' ' 27' ' ' LEU . 84.9 m -125.79 109.43 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.42 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.712 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -113.76 121.25 43.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -90.7 144.73 25.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.949 HD11 ' CB ' ' A' ' 71' ' ' ASP . 43.8 mt -132.55 126.31 20.04 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.738 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -74.97 146.76 33.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.794 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.738 HD23 ' O ' ' A' ' 30' ' ' PRO . 26.0 mt -125.07 37.93 4.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 1.4 p30 -64.43 -61.99 1.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 0.8 OUTLIER -97.59 -23.18 16.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.413 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 15.4 t -75.99 -51.33 12.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.477 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -36.98 -46.93 1.26 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.509 1.131 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.4 OUTLIER -39.11 -51.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 110.025 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.87 -41.01 9.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.93 -178.28 18.05 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.978 HD21 HG21 ' A' ' 114' ' ' ILE . 30.2 mt -42.56 -69.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 0.754 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.586 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 110.29 12.56 17.2 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.513 ' HA ' HD13 ' A' ' 63' ' ' ILE . 2.7 m -120.93 156.81 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.946 ' C ' HD23 ' A' ' 43' ' ' LEU . 9.8 t -115.36 143.58 45.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.946 HD23 ' C ' ' A' ' 42' ' ' SER . 2.7 mt -118.5 171.0 8.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.05 142.4 50.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.28 129.99 10.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -116.11 143.31 45.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 0.762 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.44 147.46 52.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 109.342 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.86 128.06 56.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.025 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -85.35 -45.99 11.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -48.02 -69.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 48.1 p -63.47 -42.39 98.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.15 47.44 4.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.443 1.09 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.48 HG22 ' N ' ' A' ' 54' ' ' ASP . 45.9 m -143.44 169.75 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 0.0 110.412 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.48 ' N ' HG22 ' A' ' 53' ' ' THR . 0.5 OUTLIER -95.79 98.52 10.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' ASP . 79.7 mt -40.44 -38.31 0.81 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 131.15 -149.41 19.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.537 1.148 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.539 HD11 ' HA ' ' A' ' 93' ' ' ASN . 28.6 mm -116.57 146.86 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.433 0.725 . . . . 0.0 109.345 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' A' ' 58' ' ' PHE . 6.1 m-85 -136.54 137.58 40.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.62 HD12 ' HB2' ' A' ' 78' ' ' ASP . 43.3 mt -57.64 146.62 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.417 ' O ' ' CB ' ' A' ' 76' ' ' MET . 0.6 OUTLIER -96.16 -55.36 2.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.89 147.84 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.638 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.5 mp -88.11 135.43 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.586 HD13 ' O ' ' A' ' 40' ' ' GLY . 3.8 mp -92.92 97.25 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.547 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -54.48 167.31 0.35 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.612 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.547 ' N ' ' CG ' ' A' ' 64' ' ' HIS . . . 66.79 19.36 69.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -127.52 -155.34 8.75 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' CB ' ' HB2' ' A' ' 34' ' ' SER . . . -85.88 -50.29 7.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 0.79 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -56.96 -33.04 66.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -38.03 -40.62 0.49 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -53.94 -50.28 66.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.949 ' CB ' HD11 ' A' ' 29' ' ' ILE . 27.9 t0 -81.85 -13.1 58.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.638 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.89 -29.23 0.05 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -37.11 -31.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.76 . . . . 0.0 110.271 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.633 HD11 HD23 ' A' ' 27' ' ' LEU . 25.2 mt -66.96 -172.49 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.465 ' N ' ' CD ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -138.59 139.05 38.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.417 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -47.15 175.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 61.37 33.53 18.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.62 ' HB2' HD12 ' A' ' 59' ' ' ILE . 43.1 m-20 -99.64 92.16 5.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.075 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 57' ' ' ILE . 37.9 tt0 -45.73 131.95 8.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.261 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.662 ' HB3' HD12 ' A' ' 88' ' ' LEU . 5.4 mp -91.79 112.69 24.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.703 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 10.9 pt -97.63 11.81 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 162.13 177.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.88 HG21 HD12 ' A' ' 100' ' ' LEU . 2.7 p -166.0 115.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 107' ' ' GLU . 0.7 OUTLIER 66.8 10.97 7.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.25 -21.82 21.48 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.497 ' HG2' HG21 ' A' ' 99' ' ' THR . 1.6 tt0 -80.79 134.53 35.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 0.788 . . . . 0.0 110.304 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.91 163.95 26.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.662 HD12 ' HB3' ' A' ' 80' ' ' LEU . 96.5 mt -130.42 -45.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.521 ' N ' HD23 ' A' ' 89' ' ' LEU . 4.6 mt -46.37 -38.37 8.79 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.27 -37.05 93.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.539 1.149 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' LEU . 5.8 mttt -76.46 -177.18 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.337 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.534 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 1.9 m -104.75 173.69 6.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.463 1.102 . . . . 0.0 110.008 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.539 ' HA ' HD11 ' A' ' 57' ' ' ILE . 25.8 m120 -49.15 -46.47 45.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 5.2 p-80 -68.1 -76.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.597 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.471 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 9.7 mt-10 -36.94 -58.15 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -36.16 -70.1 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 21.8 mmm -53.97 -33.4 56.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.088 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 95' ' ' GLU . 18.0 mm-40 -66.94 -40.53 87.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.497 HG21 ' HG2' ' A' ' 86' ' ' GLU . 1.3 m -59.94 -35.47 75.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.88 HD12 HG21 ' A' ' 83' ' ' VAL . 8.5 tp -56.43 -74.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -48.01 -30.31 4.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.485 ' C ' ' CD ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -63.66 -65.72 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -56.89 -35.44 68.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.598 ' SD ' HD12 ' A' ' 39' ' ' LEU . 29.2 mtp -57.39 -29.76 64.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.451 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 93.2 p -95.65 -41.99 8.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.55 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -84.44 -67.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 111.037 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.625 ' HA ' HD11 ' A' ' 110' ' ' ILE . 29.1 mm-40 -54.81 -23.25 17.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.323 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.427 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.07 -7.32 59.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.11 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.7 m-20 -86.3 -53.99 4.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.625 HD11 ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -76.03 -39.01 36.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -82.87 -69.85 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 120.05 4.66 11.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.543 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 8.1 ptp -152.62 -171.17 3.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.978 HG21 HD21 ' A' ' 39' ' ' LEU . 15.3 tt -147.18 163.61 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.479 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 10.1 tt0 -131.14 150.07 52.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 58.8 mt -127.79 126.84 42.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.501 HG12 HD11 ' A' ' 81' ' ' ILE . 3.5 t -112.33 111.01 34.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.4 pp -105.79 158.92 6.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.871 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.1 tm? -136.08 121.7 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.44 144.95 46.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.04 150.7 31.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.338 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.9 m -97.97 -40.81 8.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.961 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -69.09 -83.05 0.17 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 50.53 2.55 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.58 1.832 . . . . 0.0 111.053 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.27 80.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.943 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.1 t -125.58 116.01 21.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.531 1.144 . . . . 0.0 110.988 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 66.52 150.63 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 0.75 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.53 165.98 34.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.94 173.54 36.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -142.23 160.85 39.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -46.7 -58.54 3.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.03 65.68 2.94 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.448 1.092 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.63 -62.43 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 0.804 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -137.96 139.16 39.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -138.87 74.96 0.38 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.491 1.12 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -120.9 153.79 57.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -37.79 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.553 1.817 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -174.18 -53.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.56 137.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -92.92 141.92 27.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.06 143.83 3.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.6 mt -107.63 -108.0 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.16 163.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.5 tp -84.5 -67.38 0.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.47 135.54 36.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.3 t -153.92 145.58 23.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.701 ' HB2' HD21 ' A' ' 119' ' ' LEU . 66.2 m -86.82 -175.76 5.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.996 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.801 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.4 mm-40 -100.75 121.19 41.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -125.85 146.06 49.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.1 mt -140.25 140.88 35.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.674 ' C ' HD22 ' A' ' 27' ' ' LEU . 88.6 m -122.9 113.38 19.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.422 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 26' ' ' THR . 1.0 OUTLIER -110.47 141.97 42.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.23 126.53 54.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mt -122.87 122.25 27.13 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.609 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.0 Cg_endo -75.07 143.46 28.87 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.609 HD23 ' O ' ' A' ' 30' ' ' PRO . 23.3 mt -120.31 39.87 3.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 33' ' ' ASP . 1.4 p30 -62.47 -63.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 1.2 m-20 -97.95 -25.7 14.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -72.94 -42.84 63.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -36.19 -38.61 0.26 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 110.949 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.0 t -39.68 -64.95 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 109.995 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.61 -21.52 18.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 115.72 -172.22 14.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.68 HD21 ' CG2' ' A' ' 114' ' ' ILE . 16.5 mt -38.85 -70.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.64 29.33 2.48 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.753 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -122.71 158.01 27.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.889 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -113.07 128.89 56.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.889 HD23 ' C ' ' A' ' 42' ' ' SER . 2.5 mt -114.62 173.11 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.72 139.93 29.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -94.62 129.62 9.97 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -107.79 135.11 49.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -124.37 147.77 47.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.82 140.57 48.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.13 . . . . 0.0 110.032 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.07 -42.79 12.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.75 -60.3 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.4 p -89.86 -12.14 39.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.361 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 59.04 30.09 66.27 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.105 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 87.2 m -121.13 167.02 13.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 0.777 . . . . 0.0 110.384 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -86.47 117.21 25.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -57.48 -30.97 65.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 134.36 -150.7 20.1 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.487 1.117 . . . . 0.0 111.048 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.652 HD11 ' HA ' ' A' ' 93' ' ' ASN . 50.1 mm -116.81 147.69 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 6.1 m-85 -143.68 149.03 36.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.585 ' HA ' HD22 ' A' ' 43' ' ' LEU . 38.1 mt -72.82 147.11 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -99.2 -53.76 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.79 149.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.021 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.584 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.6 mp -89.79 142.6 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.9 mp -94.45 145.95 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.478 ' CD2' ' N ' ' A' ' 65' ' ' GLY . 7.1 t60 -98.27 156.58 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.649 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.478 ' N ' ' CD2' ' A' ' 64' ' ' HIS . . . 79.29 15.1 80.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -131.07 -154.79 7.99 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.83 -59.07 2.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.753 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -40.74 -44.48 2.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 68' ' ' ALA . 6.0 t80 -35.6 -46.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.972 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -54.14 -54.14 43.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.74 ' OD2' HD12 ' A' ' 74' ' ' LEU . 29.5 t70 -75.13 -12.89 60.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.343 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.584 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -36.56 -31.29 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 71' ' ' ASP . 6.6 ptp180 -38.21 -30.39 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 0.757 . . . . 0.0 110.266 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.74 HD12 ' OD2' ' A' ' 71' ' ' ASP . 32.6 mt -64.61 -177.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -131.81 130.63 42.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.24 179.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 63.22 24.31 14.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.568 ' O ' HD12 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -90.0 116.9 28.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -71.04 129.33 38.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.568 HD12 ' O ' ' A' ' 78' ' ' ASP . 7.4 mp -91.81 102.21 14.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.837 HD11 HG12 ' A' ' 117' ' ' VAL . 12.1 pt -82.34 3.87 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 163.69 177.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.953 HG21 HD12 ' A' ' 100' ' ' LEU . 2.5 p -161.65 122.4 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 60.31 16.01 5.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.0 -14.58 55.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -82.38 135.14 35.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 0.784 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.88 168.62 18.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 91' ' ' LYS . 24.8 mt -140.95 -47.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.691 HD11 HG22 ' A' ' 81' ' ' ILE . 2.9 mt -47.15 -39.51 13.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.2 -30.41 77.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 88' ' ' LEU . 7.4 mttt -87.7 -172.87 4.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.4 m -100.84 -173.76 2.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.652 ' HA ' HD11 ' A' ' 57' ' ' ILE . 26.8 m-20 -69.86 -28.71 65.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -85.02 -66.38 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.629 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.4 mt-10 -41.88 -60.7 1.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -39.62 -70.7 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.476 ' CE ' ' HB2' ' A' ' 43' ' ' LEU . 42.1 mmm -46.44 -38.75 9.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -30.9 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.083 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -77.44 -50.12 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.361 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.953 HD12 HG21 ' A' ' 83' ' ' VAL . 8.5 tp -40.74 -73.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.43 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 36.4 ttp85 -45.95 -54.83 7.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.23 -42.15 2.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.4 OUTLIER -67.2 -48.53 67.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 110.017 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.545 ' HE1' HD12 ' A' ' 39' ' ' LEU . 11.9 mtt -46.88 -27.46 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.468 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.3 OUTLIER -97.01 -36.48 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.543 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -72.92 -57.4 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.99 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.562 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 5.0 mm-40 -71.18 -40.31 71.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.479 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -67.57 -7.23 46.26 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.448 1.092 . . . . 0.0 110.975 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 105' ' ' SER . 3.7 m-20 -87.91 -66.7 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 0.733 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.645 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -78.16 -40.27 25.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -84.39 -70.97 0.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.262 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.479 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 109.4 8.97 26.22 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.542 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 2.3 mtm -143.72 165.55 27.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.68 ' CG2' HD21 ' A' ' 39' ' ' LEU . 7.1 tt -135.49 143.34 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.413 ' NE2' ' CG2' ' A' ' 26' ' ' THR . 18.8 tt0 -114.62 140.15 49.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 43.6 mt -122.1 121.12 36.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.837 HG12 HD11 ' A' ' 81' ' ' ILE . 15.9 t -101.97 113.51 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.326 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.3 pp -109.34 162.07 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.801 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.2 tm? -143.11 120.53 11.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.7 ttp85 -122.18 156.24 34.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -82.62 -177.86 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.275 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 51.4 p -57.94 -60.71 3.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 162.52 68.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 1.97 7.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.485 1.782 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.4 m -107.79 168.59 9.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.118 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.19 146.94 28.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.555 1.159 . . . . 0.0 110.97 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -177.43 140.93 0.29 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.552 0.795 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 p -172.6 126.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.005 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.66 -152.25 28.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -149.01 156.71 42.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 110.024 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 m -161.39 120.32 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.86 131.65 8.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.133 . . . . 0.0 111.015 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.92 85.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.328 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.84 176.29 8.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.11 -156.49 21.53 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -109.33 148.14 37.43 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -55.02 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.49 1.784 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.405 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 0.5 OUTLIER 50.76 93.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.1 m -91.57 102.23 14.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 108.273 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.405 ' CD1' ' OD1' ' A' ' 13' ' ' ASP . 10.4 p90 -175.82 158.46 2.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -135.7 72.04 1.44 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt 55.85 175.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.97 160.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 mt -42.49 121.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -92.76 166.02 12.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 76.0 p -140.66 136.19 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.817 ' HB2' HD21 ' A' ' 119' ' ' LEU . 20.3 m -95.16 169.94 9.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.82 ' O ' HD22 ' A' ' 119' ' ' LEU . 8.5 mt-10 -102.98 154.39 19.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -135.91 142.35 44.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.7 mt -123.58 125.66 45.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.504 ' CG2' ' CD ' ' A' ' 115' ' ' GLN . 16.1 m -104.28 104.2 14.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.389 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.499 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.9 mm? -105.35 120.83 42.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -93.2 144.94 24.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.566 HD11 ' OD2' ' A' ' 71' ' ' ASP . 61.4 mt -137.56 120.36 11.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.768 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.98 147.38 33.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.768 HD23 ' O ' ' A' ' 30' ' ' PRO . 40.0 mt -128.48 49.79 2.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.45 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 27.8 m-80 -82.36 -62.34 1.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -87.19 -37.72 17.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.92 -28.87 60.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.03 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -43.36 -40.5 4.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' GLY . 7.7 t -38.79 -58.35 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 0.762 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.05 -38.39 11.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.33 -175.15 17.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.102 . . . . 0.0 110.97 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.734 HD21 ' CG2' ' A' ' 114' ' ' ILE . 26.8 mt -41.19 -69.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 0.738 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.84 53.52 1.11 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.446 1.092 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.466 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -142.31 155.75 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.932 ' C ' HD23 ' A' ' 43' ' ' LEU . 2.5 t -115.69 135.58 53.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.932 HD23 ' C ' ' A' ' 42' ' ' SER . 2.6 mt -117.01 179.09 4.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -139.1 140.04 37.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.79 127.17 9.16 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -113.67 134.67 54.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 0.778 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.9 tttp -118.88 147.6 43.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.52 136.19 53.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.75 -39.55 11.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.168 . . . . 0.0 110.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -45.93 -66.28 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.2 p -70.06 -24.86 63.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.01 22.45 63.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.663 HG23 ' N ' ' A' ' 54' ' ' ASP . 1.6 t -126.15 -162.45 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 0.801 . . . . 0.0 110.44 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.663 ' N ' HG23 ' A' ' 53' ' ' THR . 0.4 OUTLIER -111.88 124.67 52.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.8 mt -54.13 -46.87 72.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.51 -140.44 9.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.603 HD11 ' HA ' ' A' ' 93' ' ' ASN . 19.7 mm -128.06 145.43 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.252 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.472 ' CD1' ' N ' ' A' ' 58' ' ' PHE . 5.1 m-85 -136.72 140.0 42.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.488 ' HA ' HD22 ' A' ' 43' ' ' LEU . 35.1 mt -65.57 146.54 13.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.04 -53.87 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.15 155.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.024 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.599 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.8 mp -94.4 138.85 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.8 mp -93.56 137.01 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -89.35 151.22 22.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.553 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.68 15.86 62.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.5 -161.25 9.9 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.35 -46.25 14.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.466 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -50.13 -44.19 52.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 68' ' ' ALA . 4.3 t80 -36.34 -44.12 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.1 mttp -56.29 -53.59 55.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.672 ' OD2' HD12 ' A' ' 74' ' ' LEU . 26.2 t0 -75.09 -13.13 60.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.599 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.06 -31.08 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 71' ' ' ASP . 5.4 ptt180 -38.75 -29.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.672 HD12 ' OD2' ' A' ' 71' ' ' ASP . 27.4 mt -63.12 179.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.63 120.2 24.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -42.86 166.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 111.043 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 76' ' ' MET . 2.0 m120 82.01 -1.99 1.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.58 123.96 20.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -74.39 132.55 42.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.637 ' HB3' HD12 ' A' ' 88' ' ' LEU . 7.1 mp -92.82 123.35 36.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.754 ' HA ' HD21 ' A' ' 89' ' ' LEU . 18.6 pt -113.39 7.62 7.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.655 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 165.52 171.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.906 HG21 HD12 ' A' ' 100' ' ' LEU . 4.0 p -164.28 119.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.251 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' A' ' 107' ' ' GLU . 1.0 OUTLIER 60.18 26.56 15.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 89.46 -2.19 82.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.428 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 17.5 mm-40 -84.09 162.55 20.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.55 139.57 41.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.412 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 80' ' ' LEU . 68.0 mt -115.93 -38.37 3.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.754 HD21 ' HA ' ' A' ' 81' ' ' ILE . 4.7 mt -55.87 -38.0 69.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.34 -23.58 74.97 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -95.85 -173.27 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 109.271 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.561 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -102.19 -178.56 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.138 . . . . 0.0 110.004 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.603 ' HA ' HD11 ' A' ' 57' ' ' ILE . 25.7 m120 -60.16 -38.49 83.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 9.0 p-80 -76.35 -73.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.649 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.468 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 11.3 mt-10 -37.15 -58.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.34 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -39.85 -72.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 96' ' ' ALA . 37.1 mmm -36.62 -50.28 0.8 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.485 ' O ' ' CG ' ' A' ' 102' ' ' ARG . 1.1 mm-40 -53.43 -52.9 57.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.276 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -50.04 -23.01 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.404 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.906 HD12 HG21 ' A' ' 83' ' ' VAL . 11.9 tp -68.89 -73.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -51.63 -21.32 2.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.485 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 5.9 mmt180 -69.64 -67.26 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.435 1.084 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.5 m -49.16 -29.37 5.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.711 ' CE ' HD12 ' A' ' 39' ' ' LEU . 13.1 mtt -60.28 -44.2 95.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.446 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.4 OUTLIER -92.71 -16.09 25.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 110.03 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.41 -58.46 2.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.567 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 5.4 mm-40 -74.48 -29.39 61.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.47 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -68.78 -6.98 53.99 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 105' ' ' SER . 10.4 m-20 -89.15 -67.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.596 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -75.98 -39.96 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.078 . . . . 0.0 109.252 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.567 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.9 OUTLIER -86.51 -70.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.47 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 109.42 21.15 7.41 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.525 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 11.3 ptm -164.29 174.96 10.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 0.749 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.734 ' CG2' HD21 ' A' ' 39' ' ' LEU . 14.9 tt -137.96 158.02 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.504 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 9.1 tt0 -124.15 152.19 43.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 94.0 mt -126.8 130.66 50.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.531 HG12 HD11 ' A' ' 81' ' ' ILE . 3.6 t -114.9 112.36 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -111.29 156.69 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.82 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -122.98 129.34 51.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.5 ' N ' HD13 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -128.04 106.96 9.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -61.0 172.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.22 -58.26 8.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -130.1 135.54 8.41 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 65.53 6.09 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.53 131.91 43.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.5 m 60.69 -92.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.005 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 t -127.59 169.78 13.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 110.034 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -158.12 163.97 37.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.17 -171.28 23.88 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.546 1.154 . . . . 0.0 111.011 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.81 165.62 24.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 0.753 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 m -164.18 135.15 4.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.12 94.21 0.08 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.66 -63.49 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -70.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 146.49 -104.76 0.31 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 45.59 89.39 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 58.0 4.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 47.71 80.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.8 p -111.81 -40.94 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.436 1.085 . . . . 0.0 108.302 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.587 ' CD2' HD23 ' A' ' 17' ' ' LEU . 11.2 t80 53.01 171.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.49 83.41 1.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.587 HD23 ' CD2' ' A' ' 15' ' ' TYR . 1.8 pp -140.37 -175.49 4.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 178.59 134.12 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 mp -105.08 151.4 24.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.09 156.42 18.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.6 p -104.34 84.34 2.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.987 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.484 ' CB ' HD21 ' A' ' 119' ' ' LEU . 41.3 m -112.33 163.21 14.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.012 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.774 ' O ' HD22 ' A' ' 119' ' ' LEU . 4.0 mt-10 -101.23 129.4 47.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -123.24 138.78 54.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.486 ' HB2' HD11 ' A' ' 118' ' ' ILE . 24.8 mt -123.2 114.98 21.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.727 ' C ' HD22 ' A' ' 27' ' ' LEU . 91.6 m -99.26 112.07 24.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.727 HD22 ' C ' ' A' ' 26' ' ' THR . 0.9 OUTLIER -113.03 137.96 50.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -114.02 124.7 52.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.261 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.4 mt -115.61 127.51 26.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.596 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.1 Cg_endo -74.99 143.85 29.6 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 111.007 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 30' ' ' PRO . 14.3 mt -119.02 35.92 4.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 65.6 m-80 -65.71 -62.82 1.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -96.52 -28.28 14.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 t -75.78 -30.4 59.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.14 -35.11 6.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.535 1.147 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.9 p -39.22 -69.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.037 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.34 -12.99 26.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.86 -174.64 18.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.691 HD12 ' CE ' ' A' ' 104' ' ' MET . 20.4 mt -40.46 -66.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 0.78 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.06 34.1 2.23 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.605 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.4 m -123.53 158.88 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.776 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.985 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -123.38 137.35 54.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.009 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.985 HD23 ' C ' ' A' ' 42' ' ' SER . 2.2 mt -118.79 160.22 22.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.42 136.41 50.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.85 134.35 13.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -116.7 118.92 33.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 109.335 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.99 149.92 34.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.57 140.38 49.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.988 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.21 -26.76 18.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -45.21 84.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.2 p -108.31 -9.5 15.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.04 28.73 58.62 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 54' ' ' ASP . 54.2 m -112.85 169.48 8.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 110.382 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' N ' HG22 ' A' ' 53' ' ' THR . 25.0 m-20 -96.36 111.6 23.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 75.1 mt -58.93 -39.44 81.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 137.25 -149.22 20.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.444 1.09 . . . . 0.0 111.015 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.587 HD11 ' HA ' ' A' ' 93' ' ' ASN . 50.1 mm -106.69 153.41 7.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 37.0 m-85 -146.01 142.99 29.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.59 ' HA ' HD22 ' A' ' 43' ' ' LEU . 27.1 mt -58.86 146.24 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 42' ' ' SER . 13.2 tttt -102.54 -50.6 3.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.441 ' HA ' ' CG ' ' A' ' 76' ' ' MET . 54.8 p 176.65 127.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.971 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.791 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.1 mp -70.03 132.55 33.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.1 mp -83.06 99.91 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER -61.85 170.16 2.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.606 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.585 ' N ' ' CG ' ' A' ' 64' ' ' HIS . . . 54.85 24.62 34.4 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.25 -144.91 5.94 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.88 -62.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.605 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -49.87 -34.12 19.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.435 ' C ' ' O ' ' A' ' 68' ' ' ALA . 10.9 t80 -34.79 -39.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -54.7 -72.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' C ' ' N ' ' A' ' 73' ' ' ARG . 10.1 t70 -67.07 -12.56 60.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.791 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -41.55 -25.31 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.436 ' N ' ' C ' ' A' ' 71' ' ' ASP . 8.0 ptm180 -38.45 -28.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 72' ' ' GLY . 25.9 mt -58.17 173.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 76' ' ' MET . 6.7 mtt180 -118.42 129.16 55.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.441 ' CG ' ' HA ' ' A' ' 61' ' ' SER . 2.6 mtm -45.5 174.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 68.28 35.5 3.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.138 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.644 ' OD2' HG22 ' A' ' 118' ' ' ILE . 0.3 OUTLIER -98.56 122.85 42.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -81.66 114.08 20.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.276 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.625 ' HB3' HD12 ' A' ' 88' ' ' LEU . 5.9 mp -71.02 106.4 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.654 ' HA ' HD21 ' A' ' 89' ' ' LEU . 21.5 pt -90.96 3.5 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.644 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 166.88 168.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.029 HG21 HD12 ' A' ' 100' ' ' LEU . 3.5 p -160.92 125.8 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 59.39 17.41 5.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.63 -13.25 64.23 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.427 1.079 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.493 ' OE1' HG23 ' A' ' 99' ' ' THR . 25.1 tt0 -84.5 135.22 34.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.789 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.06 163.07 26.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.38 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.625 HD12 ' HB3' ' A' ' 80' ' ' LEU . 83.5 mt -133.15 -46.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.654 HD21 ' HA ' ' A' ' 81' ' ' ILE . 2.9 mt -48.19 -40.79 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.71 -28.3 72.37 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.454 1.096 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 88' ' ' LEU . 9.1 mttm -90.75 -173.87 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.58 174.37 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.023 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.587 ' HA ' HD11 ' A' ' 57' ' ' ILE . 12.4 m120 -53.94 -40.41 66.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -71.14 -72.81 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.595 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -40.17 -60.26 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -40.45 -72.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.0 mmm -43.81 -49.46 8.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 99' ' ' THR . 0.0 OUTLIER -56.75 -34.48 67.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.493 HG23 ' OE1' ' A' ' 86' ' ' GLU . 0.9 OUTLIER -74.7 -27.99 60.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.407 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.029 HD12 HG21 ' A' ' 83' ' ' VAL . 10.2 tp -65.27 -71.5 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -53.75 -19.09 3.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.517 ' O ' ' CB ' ' A' ' 106' ' ' MET . 0.0 OUTLIER -77.75 -53.59 7.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.453 ' CA ' ' HB2' ' A' ' 107' ' ' GLU . 27.5 m -63.3 -12.17 27.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.691 ' CE ' HD12 ' A' ' 39' ' ' LEU . 22.3 mtt -71.67 -53.07 14.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.456 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.5 OUTLIER -97.42 -29.93 13.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.019 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.517 ' CB ' ' O ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -75.69 -58.23 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.453 ' HB2' ' CA ' ' A' ' 103' ' ' SER . 16.1 mt-10 -80.47 -20.22 44.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.11 -8.71 64.42 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.4 m-20 -69.56 -51.89 31.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 0.737 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.632 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -82.05 -34.67 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -79.0 -66.82 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.38 11.93 10.18 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.493 1.12 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.518 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 1.5 ptm -167.1 178.74 5.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.651 ' CG2' HD21 ' A' ' 39' ' ' LEU . 12.9 tt -138.36 150.64 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.593 ' OE1' HG22 ' A' ' 26' ' ' THR . 19.5 tt0 -116.97 151.79 35.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 81.2 mt -131.23 132.87 44.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.606 HG12 HD11 ' A' ' 81' ' ' ILE . 10.4 t -112.35 108.47 25.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.644 HG22 ' OD2' ' A' ' 78' ' ' ASP . 1.6 pp -103.74 148.71 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.774 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.2 tm? -122.47 134.25 54.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.616 ' N ' HD13 ' A' ' 119' ' ' LEU . 0.1 OUTLIER -130.33 163.83 25.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -142.0 -56.76 0.46 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.8 t -97.22 -34.32 11.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.44 -108.74 3.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 70.24 5.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.67 95.17 3.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.7 m -126.48 81.67 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.133 . . . . 0.0 111.01 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.9 t -153.18 -59.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.32 170.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.04 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.74 -163.22 0.07 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.77 166.66 7.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 0.748 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 t 62.0 144.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.973 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.33 -118.43 0.93 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.451 1.094 . . . . 0.0 111.018 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' C ' HD12 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -171.62 127.02 0.63 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -112.72 177.12 4.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -122.39 -158.31 10.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -133.61 154.55 80.75 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.537 0.786 . . . . 0.0 110.249 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.67 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.17 148.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.9 p -135.01 164.45 27.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 108.253 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -149.16 45.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.65 138.9 58.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -142.52 175.29 9.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.36 125.73 41.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.037 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.42 158.82 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.8 172.06 14.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.4 p -164.96 172.76 12.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.618 ' HB3' HD21 ' A' ' 119' ' ' LEU . 58.5 m -49.67 174.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.036 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.698 ' O ' HD22 ' A' ' 119' ' ' LEU . 5.1 mm-40 -122.28 120.48 34.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.484 ' NE2' HD11 ' A' ' 81' ' ' ILE . 4.8 tt0 -113.75 142.63 45.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 110.241 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.515 ' HB3' HD21 ' A' ' 27' ' ' LEU . 53.2 mt -132.55 129.94 39.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.588 ' C ' HD22 ' A' ' 27' ' ' LEU . 61.3 m -114.23 108.31 16.77 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.503 1.127 . . . . 0.0 110.358 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.735 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -115.91 125.65 52.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -89.86 147.04 24.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.263 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.647 HD11 ' OD2' ' A' ' 71' ' ' ASP . 68.9 mt -139.29 114.61 8.28 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.554 ' HA ' ' CG ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -75.02 133.0 16.03 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 111.023 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' A' ' 39' ' ' LEU . 16.6 mt -111.89 52.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.411 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 69.4 m-80 -78.19 -63.18 1.46 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.97 -31.53 14.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -37.68 60.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.481 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -49.18 -37.61 24.18 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -38.76 -67.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 0.72 . . . . 0.0 109.964 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.99 -33.78 19.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.338 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 136.85 175.8 14.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.805 HD12 ' SD ' ' A' ' 104' ' ' MET . 20.2 mt -40.31 -70.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.5 47.2 0.93 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 110.953 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.62 ' HA ' HD13 ' A' ' 63' ' ' ILE . 4.4 m -136.68 149.07 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.757 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.519 ' O ' ' CB ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -102.85 123.05 45.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.624 HD22 ' HA ' ' A' ' 59' ' ' ILE . 13.8 mt -111.59 179.28 4.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -150.99 136.22 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.65 140.71 15.01 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -130.88 137.96 49.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.322 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.56 152.65 51.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.39 134.41 54.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.971 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.22 -47.43 7.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.62 -68.59 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 23.4 p -62.76 -42.66 99.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.24 37.61 5.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -142.41 167.72 21.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 110.413 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER -93.84 109.48 21.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' ASP . 91.7 mt -40.22 -44.03 1.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.536 ' O ' ' CZ ' ' A' ' 58' ' ' PHE . . . 129.08 149.86 6.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.719 HD11 ' HA ' ' A' ' 93' ' ' ASN . 51.9 mm -55.55 148.35 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.62 ' CD1' ' O ' ' A' ' 57' ' ' ILE . 18.9 m-85 -144.01 126.49 15.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 111.037 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.666 HD12 ' HB2' ' A' ' 78' ' ' ASP . 50.1 mt -61.59 147.02 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.1 tttp -95.27 -55.83 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -175.31 159.73 2.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.619 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.7 mp -100.02 139.39 21.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.62 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.4 mp -93.38 111.95 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -65.13 -177.42 0.37 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.601 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 46.24 29.49 3.65 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -137.8 -151.74 5.93 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.05 -63.62 1.27 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 0.756 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.565 ' CB ' ' CG1' ' A' ' 41' ' ' VAL . . . -44.88 -31.96 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -42.5 -40.59 2.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -57.33 -42.63 82.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.647 ' OD2' HD11 ' A' ' 29' ' ' ILE . 5.5 t0 -88.12 -12.42 44.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.619 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -36.51 -30.9 0.04 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -38.98 -29.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 0.779 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' GLY . 30.6 mt -64.47 -178.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -133.37 126.59 31.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.298 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.409 ' O ' ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -42.0 165.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 76' ' ' MET . 5.4 m-20 75.71 17.02 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.666 ' HB2' HD12 ' A' ' 59' ' ' ILE . 5.0 m-20 -79.41 115.79 19.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -70.63 115.76 10.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 78' ' ' ASP . 7.8 mp -82.32 92.3 6.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.801 HD11 HG12 ' A' ' 117' ' ' VAL . 5.4 pt -71.4 -41.28 73.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.352 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.681 ' HB1' ' O ' ' A' ' 86' ' ' GLU . . . -144.14 174.15 11.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.134 HG21 HD12 ' A' ' 100' ' ' LEU . 1.9 p -159.47 122.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.56 16.12 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.13 -18.25 42.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.681 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 53.3 mm-40 -65.73 159.33 25.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -106.98 127.77 53.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 110.348 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 80' ' ' LEU . 35.6 mt -103.62 -19.75 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.595 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.9 mt -55.34 -67.68 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -49.85 -23.63 5.42 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -91.34 -176.3 4.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -116.57 -155.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 0.0 109.974 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.719 ' HA ' HD11 ' A' ' 57' ' ' ILE . 6.6 m120 -71.12 -60.58 2.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -53.89 -69.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.606 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.6 mt-10 -38.15 -68.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -39.12 -68.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.6 ' HE3' ' HB2' ' A' ' 43' ' ' LEU . 11.6 mmt -47.75 -42.99 26.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.494 ' OE2' ' CZ ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -61.09 -30.85 70.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.1 m -77.41 -43.19 33.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.41 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.134 HD12 HG21 ' A' ' 83' ' ' VAL . 8.1 tp -52.77 -73.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.86 -27.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 110.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.494 ' CZ ' ' OE2' ' A' ' 98' ' ' GLU . 2.0 ttp180 -67.44 -61.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 107' ' ' GLU . 17.2 m -52.92 -33.0 48.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.007 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.805 ' SD ' HD12 ' A' ' 39' ' ' LEU . 16.8 mtt -57.52 -38.01 73.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.474 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 2.4 m -97.0 -26.6 14.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.952 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.63 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -87.18 -68.52 0.74 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.634 ' HA ' HD11 ' A' ' 110' ' ' ILE . 23.5 mm-40 -58.66 -23.05 58.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.321 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.475 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -89.89 -7.08 68.87 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.163 . . . . 0.0 110.999 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.474 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.9 m-20 -89.84 -55.96 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.68 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -78.87 -40.86 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.6 OUTLIER -94.04 -73.85 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.475 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 117.64 13.44 7.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.554 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 2.7 mtp -142.85 166.85 23.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.772 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.474 ' CG2' HD21 ' A' ' 39' ' ' LEU . 18.2 tt -146.06 138.1 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.426 ' CD ' HG23 ' A' ' 26' ' ' THR . 15.4 tt0 -108.72 145.83 34.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.2 mt -123.76 121.1 34.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.801 HG12 HD11 ' A' ' 81' ' ' ILE . 45.6 t -104.65 111.82 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 0.0 109.316 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.417 HD11 HD12 ' A' ' 25' ' ' LEU . 1.5 pp -105.74 154.43 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.698 HD22 ' O ' ' A' ' 23' ' ' GLU . 2.9 tm? -137.14 118.97 15.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -122.69 129.6 52.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.63 164.94 16.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 m -59.51 -63.02 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.018 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 144.67 -141.04 9.68 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.497 1.123 . . . . 0.0 110.942 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 75.08 3.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.06 -55.55 2.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.8 p -105.42 121.39 43.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.535 1.147 . . . . 0.0 110.983 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.55 160.78 14.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.65 131.59 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.977 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.87 101.04 1.38 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.535 1.147 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 m -148.14 78.7 1.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.4 m -141.63 152.67 44.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.968 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.74 127.54 2.98 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.453 1.095 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -158.98 -64.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt -120.25 125.92 49.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.234 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.31 -128.63 1.58 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -133.68 126.28 18.91 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.483 0.755 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -43.28 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.797 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -177.36 99.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 15' ' ' TYR . 16.2 p -49.81 -41.78 45.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.436 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 20.9 t80 54.84 166.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.84 90.69 8.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.6 mt -57.94 100.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.59 142.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.04 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.22 139.15 31.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -157.71 110.12 2.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 110.33 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 37.8 m 67.26 114.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.1 m -119.52 168.27 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.948 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.724 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.5 mt-10 -105.79 156.78 17.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.42 ' HG2' ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -145.66 143.93 30.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.42 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 53.3 mt -128.35 122.57 31.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.58 HG23 HG22 ' A' ' 117' ' ' VAL . 6.5 m -107.92 111.23 23.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.724 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -113.45 126.58 55.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' A' ' 28' ' ' GLU . 4.8 mp0 -101.02 145.14 29.1 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.746 HD11 ' HB3' ' A' ' 71' ' ' ASP . 54.0 mt -133.94 130.83 20.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.674 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.2 Cg_endo -74.99 148.53 35.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.674 HD23 ' O ' ' A' ' 30' ' ' PRO . 29.6 mt -123.57 35.38 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.438 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 1.3 p30 -60.18 -63.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -97.01 -27.38 14.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 t -73.32 -32.55 64.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.962 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.39 -34.52 6.48 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 111.035 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.24 -58.67 2.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.12 -45.87 7.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.35 -152.54 24.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.749 HD21 ' CG2' ' A' ' 114' ' ' ILE . 19.2 mt -58.69 -66.42 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 0.763 . . . . 0.0 109.374 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.79 29.73 4.0 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.796 HG13 ' CB ' ' A' ' 68' ' ' ALA . 2.3 m -126.76 153.21 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.751 . . . . 0.0 109.357 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.518 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -103.08 128.03 50.13 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.742 HD22 ' HA ' ' A' ' 59' ' ' ILE . 13.2 mt -114.91 -179.93 3.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.87 143.84 22.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.089 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.77 131.64 10.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.461 1.101 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.612 ' HB3' HD12 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -114.58 151.61 33.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 0.744 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -136.22 150.02 48.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.07 123.94 43.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.996 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -91.11 -28.32 17.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -52.02 67.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 p -86.89 -22.68 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.76 19.11 76.23 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.0 m -118.16 163.46 16.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 0.771 . . . . 0.0 110.408 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.3 108.21 20.12 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.612 HD12 ' HB3' ' A' ' 46' ' ' ASN . 91.3 mt -41.53 -47.62 3.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.426 ' O ' HD13 ' A' ' 57' ' ' ILE . . . 135.06 -142.15 13.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.526 1.141 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.702 HG22 HD13 ' A' ' 80' ' ' LEU . 34.6 mm -117.49 151.19 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 30.9 m-85 -150.74 143.15 24.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 111.045 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.742 ' HA ' HD22 ' A' ' 43' ' ' LEU . 23.4 mt -67.17 149.55 11.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 76' ' ' MET . 12.6 tttt -105.21 -47.17 4.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.2 p 179.64 154.43 0.51 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.539 ' HA ' HG12 ' A' ' 41' ' ' VAL . 3.5 mp -96.92 139.16 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 3.0 mp -90.41 103.33 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -58.15 -173.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.621 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 41.32 35.98 1.3 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -141.79 -150.23 5.33 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.8 -64.09 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 0.809 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.796 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -47.4 -32.92 5.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.415 ' C ' ' O ' ' A' ' 68' ' ' ALA . 2.6 t80 -36.06 -39.43 0.17 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -53.67 -71.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.746 ' HB3' HD11 ' A' ' 29' ' ' ILE . 8.4 t0 -66.13 -11.55 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.521 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -38.56 -27.8 0.05 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.492 1.12 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -36.71 -30.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.774 . . . . 0.0 110.349 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.9 mt -59.27 -174.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.46 127.96 21.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.523 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -43.29 167.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.96 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 76' ' ' MET . 3.2 m120 83.7 -5.25 1.15 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.437 ' OD2' HD22 ' A' ' 74' ' ' LEU . 8.2 m-20 -70.95 94.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -50.97 139.45 17.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 110.288 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.702 HD13 HG22 ' A' ' 57' ' ' ILE . 2.1 mp -93.23 104.94 17.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.628 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 30.6 pt -91.81 8.09 4.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 168.41 171.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.899 HG21 HD12 ' A' ' 100' ' ' LEU . 2.8 p -163.0 125.13 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.454 ' ND2' ' CB ' ' A' ' 107' ' ' GLU . 0.8 OUTLIER 55.28 26.14 8.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 90.14 -10.19 74.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 83' ' ' VAL . 35.0 tt0 -86.27 140.77 29.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.13 157.93 36.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.422 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.562 HD12 ' HB3' ' A' ' 80' ' ' LEU . 34.9 mt -128.66 -49.88 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.613 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.8 mt -47.92 -47.57 32.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -54.95 -32.27 56.03 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -84.46 -167.61 1.85 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 0.808 . . . . 0.0 109.282 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.08 -168.46 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.481 ' HA ' HD11 ' A' ' 57' ' ' ILE . 33.3 m120 -72.04 -30.36 65.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -82.07 -69.99 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.573 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 99' ' ' THR . 4.2 mt-10 -39.68 -59.81 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 99' ' ' THR . . . -41.59 -72.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.643 ' CE ' HG23 ' A' ' 57' ' ' ILE . 15.2 mmt -49.09 -33.76 12.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 111.022 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -28.0 64.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -75.63 -41.75 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.386 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.899 HD12 HG21 ' A' ' 83' ' ' VAL . 8.9 tp -43.06 -72.93 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.0 ptp180 -48.7 -36.97 17.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 -55.97 -54.86 39.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 107' ' ' GLU . 1.9 m -65.59 -38.73 90.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.632 ' SD ' HD12 ' A' ' 39' ' ' LEU . 20.3 mtp -60.45 -25.47 66.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.45 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 0.5 OUTLIER -96.83 -32.73 11.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.647 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -92.65 -68.29 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.684 ' HA ' HD11 ' A' ' 110' ' ' ILE . 3.2 mm-40 -54.3 -18.78 4.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.447 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.46 -5.79 60.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 105' ' ' SER . 4.0 m-20 -93.15 -56.63 2.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 0.756 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.684 HD11 ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -74.98 -40.93 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -87.76 -71.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 121.15 9.72 7.16 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.453 1.096 . . . . 0.0 110.954 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.433 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 5.4 ptm -156.02 173.12 17.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 0.815 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.749 ' CG2' HD21 ' A' ' 39' ' ' LEU . 3.9 tt -133.52 148.44 30.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.567 ' OE1' HG21 ' A' ' 26' ' ' THR . 0.0 OUTLIER -111.34 147.18 35.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.5 mt -131.13 129.41 41.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.592 HG12 HD11 ' A' ' 81' ' ' ILE . 3.7 t -113.08 118.41 57.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -111.51 156.71 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.724 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.4 tm? -123.55 124.5 42.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.5 ttp85 -116.34 118.6 33.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.84 164.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.3 -49.51 64.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.95 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -140.16 -159.15 7.85 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 80.65 2.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.803 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 37.6 m -101.25 158.54 15.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.996 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.83 154.28 21.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.999 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.556 1.16 . . . . 0.0 110.958 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -177.98 150.4 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.001 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.91 169.16 5.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.08 179.29 48.05 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.8 164.04 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 110.02 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.79 152.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.978 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.42 119.47 1.75 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.78 106.5 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 0.797 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.05 167.74 15.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -176.19 167.78 39.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -162.22 64.65 1.68 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 62.43 5.88 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.554 1.818 . . . . 0.0 110.996 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -109.95 100.09 9.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.9 p -175.03 165.67 3.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 108.259 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -121.51 124.79 45.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.78 151.71 6.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 pp -132.78 165.08 25.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.1 t -148.54 122.13 9.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.999 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.75 168.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -52.38 127.25 21.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.8 t -172.96 157.62 3.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.776 ' HB2' HD21 ' A' ' 119' ' ' LEU . 49.3 m -50.29 175.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.055 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.805 ' O ' HD22 ' A' ' 119' ' ' LEU . 1.5 mt-10 -101.94 156.74 17.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -134.1 143.81 48.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.268 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 31.6 mt -126.01 147.97 49.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.569 ' C ' HD22 ' A' ' 27' ' ' LEU . 86.8 m -133.08 112.68 11.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.442 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.729 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -114.68 124.74 52.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -88.02 142.73 27.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.652 HG21 ' CD2' ' A' ' 39' ' ' LEU . 55.8 mt -132.76 127.21 20.28 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.648 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.3 Cg_endo -75.01 138.15 22.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.55 1.816 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 30' ' ' PRO . 10.7 mt -118.31 36.36 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 1.3 p30 -62.22 -63.69 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -97.12 -29.03 13.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.6 OUTLIER -72.46 -36.09 68.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.427 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -45.06 -34.63 4.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.137 . . . . 0.0 111.034 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m -39.83 -70.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.78 -12.14 27.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' SER . . . 112.81 -173.47 15.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.652 ' CD2' HG21 ' A' ' 29' ' ' ILE . 16.2 mt -40.45 -64.36 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.489 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 107.44 38.77 2.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.566 ' HA ' HD13 ' A' ' 63' ' ' ILE . 3.9 m -138.3 150.02 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.935 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -100.92 146.58 27.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.994 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.935 HD23 ' C ' ' A' ' 42' ' ' SER . 3.5 mt -121.03 168.75 11.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.23 152.37 44.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.4 131.22 9.57 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -113.04 132.64 55.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 0.797 . . . . 0.0 109.329 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.79 148.24 43.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.58 137.72 54.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 24.3 mtm180 -90.93 -36.94 13.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -53.36 -56.33 17.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.265 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.7 p -77.24 -32.53 55.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.21 44.6 17.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.576 1.172 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.7 t -149.12 -167.21 2.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 0.777 . . . . 0.0 110.398 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.41 109.29 21.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.5 mt -47.26 -47.8 24.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.07 -159.82 28.26 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.118 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.458 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 29.8 mm -114.05 143.03 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.756 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 58' ' ' PHE . 2.8 m-85 -138.46 132.47 31.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.537 HD12 ' HB2' ' A' ' 78' ' ' ASP . 70.6 mt -50.56 146.76 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 76' ' ' MET . 1.2 tttt -100.06 -51.11 3.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.26 154.71 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.982 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.726 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.7 mp -99.49 138.97 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.566 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.7 mp -94.42 110.1 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -63.49 176.97 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 109.585 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 52.66 27.01 26.17 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.57 -155.53 7.51 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.34 -58.48 2.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 0.803 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -49.56 -35.78 21.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -38.27 -41.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -52.96 -50.53 63.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.569 ' CB ' HD11 ' A' ' 29' ' ' ILE . 25.9 t0 -84.27 -13.24 53.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.726 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -36.81 -30.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' ASP . 12.5 ptm180 -38.13 -30.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' GLY . 24.5 mt -63.51 -178.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 76' ' ' MET . 2.8 mmm180 -131.52 130.1 41.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -42.93 167.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 76' ' ' MET . 4.4 m-20 82.85 0.21 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.128 . . . . 0.0 109.286 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.581 ' O ' HD12 ' A' ' 80' ' ' LEU . 40.6 m-20 -65.56 101.03 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.54 130.7 47.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.604 ' HB3' HD12 ' A' ' 88' ' ' LEU . 7.1 mp -91.53 106.34 18.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.648 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 18.1 pt -89.61 2.75 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 166.24 -173.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.322 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.689 HG21 HD12 ' A' ' 100' ' ' LEU . 2.6 p -169.3 121.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 103' ' ' SER . 2.1 m-20 56.95 23.11 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.17 -11.93 65.47 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.474 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 45.6 tt0 -81.32 142.3 33.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.1 160.93 23.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.433 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.604 HD12 ' HB3' ' A' ' 80' ' ' LEU . 96.4 mt -134.47 -46.69 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.611 ' N ' HD23 ' A' ' 89' ' ' LEU . 3.0 mt -48.71 -38.3 21.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -65.58 -33.01 85.06 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -79.25 -175.03 4.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.419 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 75.0 m -102.89 172.05 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.426 ' HA ' HD11 ' A' ' 57' ' ' ILE . 26.4 m120 -52.57 -32.48 41.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 95' ' ' GLU . 86.4 t60 -81.04 -75.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.623 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 98' ' ' GLU . 10.2 mt-10 -37.88 -52.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.95 -67.93 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 40.6 mmm -55.9 -27.4 51.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 95' ' ' GLU . 7.7 mm-40 -73.1 -39.74 65.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.9 OUTLIER -59.36 -30.26 68.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.689 HD12 HG21 ' A' ' 83' ' ' VAL . 11.1 tp -60.58 -71.85 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -44.15 -32.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.456 ' CG ' ' O ' ' A' ' 98' ' ' GLU . 8.5 mmt-85 -65.1 -58.21 6.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.414 ' HB3' ' ND2' ' A' ' 84' ' ' ASN . 1.3 m -54.07 -31.85 52.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.03 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.537 ' CG ' HD12 ' A' ' 114' ' ' ILE . 23.8 mtt -63.48 -51.54 65.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.449 ' O ' ' ND2' ' A' ' 109' ' ' ASN . 1.7 m -73.21 -20.59 60.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -59.35 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.557 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 9.9 mm-40 -73.48 -40.28 64.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.418 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -67.17 -7.57 45.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 105' ' ' SER . 1.5 m-20 -81.45 -58.9 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 0.785 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.787 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -96.74 -43.66 12.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.087 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.557 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -70.78 -71.93 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.418 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 109.64 7.98 27.07 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 0.0 110.982 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.555 ' CG ' ' HA ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -140.93 -179.46 6.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.537 HD12 ' CG ' ' A' ' 104' ' ' MET . 17.1 tt -148.48 136.42 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 83' ' ' VAL . 11.1 tt0 -105.64 141.77 36.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.0 mt -124.68 117.72 24.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.571 HG12 HD11 ' A' ' 81' ' ' ILE . 3.4 t -97.14 122.02 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.6 pp -115.36 164.48 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.805 HD22 ' O ' ' A' ' 23' ' ' GLU . 3.3 tm? -132.6 127.52 35.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -144.33 131.75 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -54.65 166.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -49.25 -42.16 39.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.034 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -127.67 148.51 17.63 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 60.15 5.38 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 0.0 110.968 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.44 117.19 25.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.2 t -173.18 110.12 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.994 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 68.07 138.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 110.043 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 178.01 168.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.042 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.83 118.73 0.73 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -167.25 132.37 2.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.773 . . . . 0.0 109.938 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -160.88 168.73 24.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.14 -124.09 2.08 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 mp -151.25 116.15 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 0.738 . . . . 0.0 109.35 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.82 171.98 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -133.17 -66.37 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 67.36 121.51 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.492 0.76 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 69.39 5.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 110.972 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.47 -55.17 20.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.3 m -48.05 146.25 2.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 108.313 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -142.77 173.39 11.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.08 106.3 6.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.83 162.06 27.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.34 150.56 48.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mp -83.01 159.18 22.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -42.2 132.9 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.73 140.34 9.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 110.031 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.857 ' HB2' HD21 ' A' ' 119' ' ' LEU . 11.1 p -65.3 177.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.688 ' O ' HD22 ' A' ' 119' ' ' LEU . 8.5 mm-40 -125.54 123.23 38.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.311 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.506 ' HG3' HD11 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -129.64 142.25 50.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.531 1.145 . . . . 0.0 110.305 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.442 ' HB3' HD21 ' A' ' 27' ' ' LEU . 26.7 mt -129.81 126.11 37.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.691 ' C ' HD22 ' A' ' 27' ' ' LEU . 28.7 m -98.73 110.22 22.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.122 . . . . 0.0 110.37 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.691 HD22 ' C ' ' A' ' 26' ' ' THR . 0.7 OUTLIER -109.88 125.92 53.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -105.72 116.23 31.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 29' ' ' ILE . 15.6 mm -110.91 126.21 29.16 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.496 ' HA ' ' CB ' ' A' ' 113' ' ' MET . 18.3 Cg_endo -74.98 142.14 27.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.499 1.789 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' HB3' ' CA ' ' A' ' 35' ' ' GLY . 39.2 mt -116.85 38.1 3.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -59.37 -63.39 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.56 -21.65 16.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' GLY . 2.5 t -74.51 -52.12 12.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.473 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -36.4 -44.93 0.9 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.55 1.156 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.51 -54.08 2.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.783 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.09 -38.16 11.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.12 -166.21 22.82 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.94 HD21 HG21 ' A' ' 114' ' ' ILE . 26.5 mt -58.18 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.22 37.49 3.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 62' ' ' ILE . 2.4 m -140.4 155.67 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.766 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.907 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -114.69 141.63 47.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.97 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.907 HD23 ' C ' ' A' ' 42' ' ' SER . 3.7 mt -119.23 169.64 9.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.94 136.88 46.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -96.47 129.87 10.05 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.449 1.093 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.418 ' HB3' HD12 ' A' ' 55' ' ' LEU . 1.1 t-20 -115.47 138.98 50.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.2 tttt -126.15 149.26 49.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.6 131.9 54.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.052 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -51.76 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -41.4 -57.6 2.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.9 p -80.44 -45.5 17.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.392 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.63 4.45 60.6 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.095 . . . . 0.0 111.018 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 m -100.48 160.85 14.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 0.768 . . . . 0.0 110.358 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.53 117.58 22.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' A' ' 46' ' ' ASN . 94.9 mt -54.37 -38.33 65.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 136.61 -147.81 19.41 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.518 1.136 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 93' ' ' ASN . 33.4 mm -117.26 136.17 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 78' ' ' ASP . 7.3 m-85 -126.17 126.66 44.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.509 ' HA ' HD22 ' A' ' 43' ' ' LEU . 17.9 mt -53.01 147.87 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.67 -57.05 2.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 p -178.57 148.84 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.988 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.601 ' HA ' HG12 ' A' ' 41' ' ' VAL . 2.2 mp -90.76 132.79 34.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.8 mp -86.63 147.84 5.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.91 176.25 6.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.75 24.45 60.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.57 -159.16 8.27 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.69 -55.18 3.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 0.779 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 71' ' ' ASP . . . -47.05 -38.95 11.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -38.88 -47.44 1.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -56.59 -46.11 81.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 68' ' ' ALA . 2.3 t0 -77.7 -12.89 60.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.493 ' HA2' HG21 ' A' ' 62' ' ' ILE . . . -39.2 -27.82 0.08 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -39.22 -28.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.316 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 72' ' ' GLY . 21.8 mt -66.47 175.26 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -121.58 126.07 48.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 110.328 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -178.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 66.57 17.67 10.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.348 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.604 ' O ' ' CD2' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -78.89 -158.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.279 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -145.2 108.82 4.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.572 ' HB3' HD12 ' A' ' 88' ' ' LEU . 6.5 mp -67.41 118.61 10.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.736 HD11 HG12 ' A' ' 117' ' ' VAL . 25.9 pt -106.38 5.64 10.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 164.64 174.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.752 HG21 HD12 ' A' ' 100' ' ' LEU . 2.5 p -163.5 119.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.402 ' ND2' ' HB3' ' A' ' 107' ' ' GLU . 0.6 OUTLIER 66.2 17.03 10.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.89 -13.44 62.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.116 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -82.18 143.11 31.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.28 159.11 30.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.572 HD12 ' HB3' ' A' ' 80' ' ' LEU . 55.9 mt -130.7 -45.85 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.642 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.4 mt -50.18 -40.04 45.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.58 -22.51 63.92 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.105 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -93.76 -164.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.56 ' HB3' ' CE1' ' A' ' 94' ' ' HIS . 3.9 m -111.69 -176.37 2.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.526 ' HA ' HD11 ' A' ' 57' ' ' ILE . 97.6 m-20 -65.73 -22.28 66.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 92' ' ' SER . 4.8 p-80 -93.59 -74.03 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.634 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 94' ' ' HIS . 11.2 mt-10 -35.31 -45.69 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.89 -70.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 50.5 mmm -41.8 -36.94 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -66.18 -47.53 73.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 m -53.84 -33.3 55.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 110.38 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.752 HD12 HG21 ' A' ' 83' ' ' VAL . 8.8 tp -55.93 -73.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -50.03 -38.18 36.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 110.313 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -52.85 58.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.128 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.2 OUTLIER -68.33 -39.48 81.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.597 ' SD ' HD12 ' A' ' 39' ' ' LEU . 15.6 mtp -58.87 -26.17 63.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.8 p -95.67 -42.43 8.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.966 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.607 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -88.51 -67.03 0.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 111.023 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.677 ' HA ' HD11 ' A' ' 110' ' ' ILE . 4.7 mm-40 -54.31 -21.04 8.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 110.236 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.434 ' O ' ' HA2' ' A' ' 112' ' ' GLY . . . -95.79 -6.37 59.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -89.68 -54.34 4.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 0.778 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.677 HD11 ' HA ' ' A' ' 107' ' ' GLU . 0.3 OUTLIER -76.08 -40.3 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -84.5 -71.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.299 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 108' ' ' GLY . . . 119.51 8.4 9.2 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.496 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 1.1 ptt? -156.92 174.44 15.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 0.794 . . . . 0.0 111.006 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.94 HG21 HD21 ' A' ' 39' ' ' LEU . 11.6 tt -137.02 147.85 26.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.501 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 6.6 tt0 -111.52 140.2 46.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 15.5 mt -121.58 119.01 30.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.736 HG12 HD11 ' A' ' 81' ' ' ILE . 21.1 t -102.87 112.25 35.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 1.2 pp -108.64 150.17 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.857 HD21 ' HB2' ' A' ' 22' ' ' SER . 3.1 tm? -123.03 129.3 51.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.01 130.74 48.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -176.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.082 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -43.56 -67.3 0.29 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.024 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -122.16 -162.87 11.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 79.86 2.56 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.48 1.779 . . . . 0.0 110.98 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 90.8 p -89.89 110.84 21.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.52 118.75 2.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m 56.86 165.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.971 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.8 163.88 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.44 177.84 39.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -173.59 168.38 4.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.752 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 p -166.3 165.11 17.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.0 -140.3 14.98 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 66.53 131.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt 66.92 159.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.66 122.35 1.65 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.516 1.135 . . . . 0.0 111.036 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.13 82.46 41.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 65.9 6.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -106.41 96.11 6.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.5 p -121.99 156.87 32.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 108.33 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -131.45 156.63 45.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.36 133.07 49.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mt -80.21 161.88 24.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.9 m -132.34 120.75 22.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.3 mt -55.17 162.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -82.17 127.6 33.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.26 -178.06 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.557 1.161 . . . . 0.0 110.007 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.464 ' HB2' HD21 ' A' ' 119' ' ' LEU . 12.9 p -138.65 171.04 14.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.694 ' O ' HD22 ' A' ' 119' ' ' LEU . 8.6 mm-40 -112.32 124.26 52.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -122.82 141.03 52.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 110.297 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.6 mt -135.7 119.49 17.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.608 HG23 HG22 ' A' ' 117' ' ' VAL . 1.9 m -101.11 107.31 18.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.41 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.627 HD22 ' N ' ' A' ' 27' ' ' LEU . 1.5 mm? -109.93 128.61 55.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.09 143.09 34.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' ' 71' ' ' ASP . 7.7 mm -135.84 133.34 19.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.666 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.2 Cg_endo -75.02 149.6 36.84 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.568 1.825 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.78 HD11 ' CG2' ' A' ' 114' ' ' ILE . 24.5 mt -130.65 53.66 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.432 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 22.7 m-80 -87.15 -57.64 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.39 -40.18 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.47 -28.36 59.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -46.84 -39.38 11.05 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' GLY . 2.5 m -38.78 -56.89 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 0.775 . . . . 0.0 109.99 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.02 -25.77 17.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 117.6 -171.2 13.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.924 HD21 ' CG2' ' A' ' 114' ' ' ILE . 24.7 mt -39.06 -68.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 106.78 44.13 1.34 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.552 ' HA ' HD13 ' A' ' 63' ' ' ILE . 2.4 m -143.5 157.5 16.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 0.728 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.95 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -112.02 140.08 46.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 109.987 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.95 HD23 ' C ' ' A' ' 42' ' ' SER . 2.9 mt -118.98 175.51 5.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HE2' ' ND2' ' A' ' 77' ' ' ASN . 33.5 pttt -135.97 139.28 43.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.44 117.9 6.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -101.87 134.93 44.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -132.36 148.28 52.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -112.91 137.36 51.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -89.93 -36.48 14.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.243 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.99 -56.52 21.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.7 p -78.42 -23.36 46.71 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.391 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.68 41.73 98.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.1 m -141.44 159.66 41.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.756 . . . . 0.0 110.383 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.44 113.99 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 61.5 mt -58.46 -36.76 74.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.8 -165.87 24.72 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.749 HD11 ' HA ' ' A' ' 93' ' ' ASN . 30.0 mm -104.8 146.32 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -137.27 140.55 41.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.499 ' HA ' HD22 ' A' ' 43' ' ' LEU . 39.2 mt -65.42 146.9 12.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.06 -56.29 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 p -177.74 147.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.612 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.6 mp -86.5 137.62 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.552 HD13 ' HA ' ' A' ' 41' ' ' VAL . 3.6 mp -89.47 101.82 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.513 ' CD2' ' N ' ' A' ' 65' ' ' GLY . 7.1 t60 -64.97 155.33 34.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.587 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.513 ' N ' ' CD2' ' A' ' 64' ' ' HIS . . . 81.49 11.98 82.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.133 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -128.88 -150.54 7.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.48 -64.73 1.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 0.762 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' GLY . . . -42.17 -34.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.475 ' CE1' ' ND1' ' A' ' 64' ' ' HIS . 6.8 t80 -38.11 -48.46 1.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.039 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -47.77 -71.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.609 ' HB2' HD11 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -63.33 -12.91 33.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.612 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.37 -29.66 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.445 1.09 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.3 OUTLIER -39.48 -28.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 0.748 . . . . 0.0 110.277 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.492 HD11 HD23 ' A' ' 27' ' ' LEU . 28.8 mt -65.19 171.34 3.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.412 ' O ' ' O ' ' A' ' 76' ' ' MET . 1.6 mmt-85 -117.92 129.67 55.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.456 ' SD ' ' ND2' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -51.0 -175.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.456 ' ND2' ' SD ' ' A' ' 76' ' ' MET . 0.7 OUTLIER 60.97 14.54 5.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.4 127.31 32.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -79.84 130.91 35.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.573 ' N ' HD12 ' A' ' 80' ' ' LEU . 4.4 mp -87.19 97.04 10.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.625 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 21.9 pt -77.11 -4.91 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.625 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 168.33 172.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.056 HG22 ' ND2' ' A' ' 84' ' ' ASN . 5.7 p -159.15 136.36 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 1.056 ' ND2' HG22 ' A' ' 83' ' ' VAL . 2.1 p30 43.7 52.7 6.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.23 23.05 46.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.579 1.175 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.532 ' N ' ' O ' ' A' ' 83' ' ' VAL . 20.7 tt0 -113.94 145.59 41.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -83.44 149.77 26.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.389 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.461 HD11 ' CG1' ' A' ' 83' ' ' VAL . 40.4 mt -127.28 -49.0 1.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.598 ' N ' HD23 ' A' ' 89' ' ' LEU . 3.3 mt -50.73 -36.91 38.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -58.54 -29.18 63.45 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.45 1.094 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -99.57 -167.39 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.783 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 80.0 p -108.97 -179.04 3.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.749 ' HA ' HD11 ' A' ' 57' ' ' ILE . 88.8 m-20 -54.39 -48.29 71.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -62.73 -74.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.633 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' GLU . 8.5 mt-10 -39.76 -63.05 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.76 -68.9 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.1 mmm -46.46 -34.0 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -64.73 -32.03 73.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 96' ' ' ALA . 1.3 m -74.7 -46.32 38.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.853 HD12 HG21 ' A' ' 83' ' ' VAL . 8.1 tp -48.9 -67.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 104' ' ' MET . 52.0 ttp180 -50.08 -61.5 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 110.304 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -46.5 -35.85 6.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.511 ' CB ' ' ND2' ' A' ' 84' ' ' ASN . 0.4 OUTLIER -68.18 -34.63 76.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.915 ' HE1' HD12 ' A' ' 39' ' ' LEU . 20.6 mtt -64.92 -30.37 71.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.43 -13.21 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.525 ' O ' HD13 ' A' ' 110' ' ' ILE . 3.6 mmt -95.78 -52.68 3.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.558 ' O ' ' CB ' ' A' ' 111' ' ' ARG . 7.1 mm-40 -74.08 -43.99 55.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.486 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -68.67 -6.89 52.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.118 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -82.25 -57.87 3.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.765 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -95.86 -41.57 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.558 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -76.34 -48.42 20.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.486 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 90.97 13.82 58.59 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.458 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 9.1 ptp -159.07 173.52 16.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.924 ' CG2' HD21 ' A' ' 39' ' ' LEU . 18.0 tt -138.65 140.07 39.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.945 ' O ' HG23 ' A' ' 83' ' ' VAL . 14.1 tt0 -99.43 153.06 19.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.427 ' CD2' HD11 ' A' ' 100' ' ' LEU . 37.9 mt -137.6 118.56 14.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.61 HG12 HD11 ' A' ' 81' ' ' ILE . 5.0 t -101.16 123.86 54.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.5 pp -118.16 151.46 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.694 HD22 ' O ' ' A' ' 23' ' ' GLU . 2.8 tm? -131.48 116.37 17.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.583 1.177 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -114.69 134.07 55.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.269 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -61.26 162.62 7.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.097 . . . . 0.0 110.26 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 57.7 p -52.08 -54.77 26.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -135.38 -145.33 5.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 125' ' ' SER . 18.3 Cg_endo -75.03 -29.8 7.79 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.543 1.812 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 124' ' ' PRO . 0.5 OUTLIER 47.45 96.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.997 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.95 101.78 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.145 . . . . 0.0 111.056 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 m 63.47 131.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.769 . . . . 0.0 110.041 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.34 142.75 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.77 128.33 0.95 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.38 137.8 9.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 0.789 . . . . 0.0 110.048 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.08 169.79 20.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.969 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.77 91.32 0.08 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp 68.83 100.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.36 80.14 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 53.17 -178.17 0.13 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -162.55 154.56 15.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.767 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -45.17 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 61.5 144.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.3 p 179.95 145.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 108.325 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -113.06 174.01 6.11 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.558 1.161 . . . . 0.0 110.981 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.3 85.18 3.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 mt -133.89 154.92 50.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.92 74.78 1.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 mt -133.56 132.38 40.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -167.14 155.1 9.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.53 163.52 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.993 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.501 ' HB2' HD21 ' A' ' 119' ' ' LEU . 5.5 p -44.91 159.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.84 ' O ' HD22 ' A' ' 119' ' ' LEU . 0.8 OUTLIER -120.11 139.4 52.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -125.55 147.58 49.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.7 ' HB3' HD21 ' A' ' 27' ' ' LEU . 30.5 mt -132.35 128.22 37.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.7 ' C ' HD22 ' A' ' 27' ' ' LEU . 49.1 m -102.21 109.42 21.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.762 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -119.99 127.11 52.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -100.49 152.26 20.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 110.333 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.0 mt -146.41 116.48 4.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.705 ' O ' HD23 ' A' ' 31' ' ' LEU . 18.4 Cg_endo -74.98 149.31 36.63 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.452 1.764 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.705 HD23 ' O ' ' A' ' 30' ' ' PRO . 17.4 mt -129.93 62.34 1.56 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -89.32 -62.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -92.54 -32.88 14.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 t -78.71 -30.21 45.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.031 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.61 -39.62 54.16 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.525 1.14 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 83.3 p -42.21 -49.89 4.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 110.003 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.1 -45.48 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 145.07 -176.26 24.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.62 HD21 ' CG2' ' A' ' 114' ' ' ILE . 18.8 mt -40.33 -69.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.266 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.33 38.42 1.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.636 ' HA ' HD13 ' A' ' 63' ' ' ILE . 4.3 m -144.75 151.46 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.519 0.776 . . . . 0.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.794 ' C ' HD23 ' A' ' 43' ' ' LEU . 4.0 t -98.32 137.27 37.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.956 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.794 HD23 ' C ' ' A' ' 42' ' ' SER . 6.3 mt -117.16 179.74 3.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.14 138.41 19.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.8 132.91 11.19 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.28 137.74 51.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -127.48 147.34 50.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.43 125.67 53.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -52.69 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.31 -65.72 0.38 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.5 p -68.42 -39.85 81.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.385 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.91 46.05 5.5 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.479 HG22 ' N ' ' A' ' 54' ' ' ASP . 58.1 m -141.16 170.85 14.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 0.737 . . . . 0.0 110.446 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.479 ' N ' HG22 ' A' ' 53' ' ' THR . 0.5 OUTLIER -89.84 102.59 15.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -42.2 -38.18 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 129.16 -162.78 22.57 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.627 HG23 ' CE ' ' A' ' 97' ' ' MET . 40.7 mm -108.16 148.18 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 4.4 m-85 -142.59 155.99 45.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.479 ' HA ' HD22 ' A' ' 43' ' ' LEU . 34.0 mt -81.08 147.79 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 42' ' ' SER . 4.1 ttpt -97.1 -53.06 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.53 168.38 3.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.964 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.71 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.8 mp -109.79 137.99 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.636 HD13 ' HA ' ' A' ' 41' ' ' VAL . 2.6 mp -91.6 111.55 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.799 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 8.1 t-80 -72.46 148.31 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.581 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.468 ' N ' ' ND1' ' A' ' 64' ' ' HIS . . . 86.97 10.27 72.35 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.102 . . . . 0.0 110.981 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -120.47 -147.87 7.94 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.84 -50.85 5.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 72' ' ' GLY . . . -55.77 -35.81 66.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.799 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 3.8 t80 -36.99 -44.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -54.18 -53.23 56.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' ARG . 5.1 t0 -77.45 -12.8 60.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.71 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -37.1 -30.22 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASP . 9.9 ptm180 -38.12 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.718 HD11 ' HG ' ' A' ' 27' ' ' LEU . 32.9 mt -63.44 177.8 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -128.73 124.1 34.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.334 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.511 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER -42.64 166.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 76' ' ' MET . 1.9 m-20 83.27 -0.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.496 ' O ' HD12 ' A' ' 80' ' ' LEU . 2.4 m-20 -63.15 114.47 3.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 58' ' ' PHE . 7.8 tt0 -68.76 124.15 22.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.496 HD12 ' O ' ' A' ' 78' ' ' ASP . 8.3 mp -83.43 116.14 22.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.64 HD11 HG12 ' A' ' 117' ' ' VAL . 2.8 pt -104.51 -44.65 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 86' ' ' GLU . . . -146.3 135.15 22.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.89 HG22 ' ND2' ' A' ' 84' ' ' ASN . 0.9 OUTLIER -120.75 126.51 75.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.89 ' ND2' HG22 ' A' ' 83' ' ' VAL . 16.7 p30 46.37 31.43 1.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.33 -28.86 10.59 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -56.54 131.19 47.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 0.79 . . . . 0.0 110.329 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.442 ' N ' ' OE1' ' A' ' 86' ' ' GLU . 0.4 OUTLIER -83.18 131.95 35.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.122 . . . . 0.0 110.372 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.44 HD11 HG12 ' A' ' 83' ' ' VAL . 59.7 mt -111.27 -23.98 10.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.531 HD21 ' CB ' ' A' ' 81' ' ' ILE . 6.7 mt -49.23 -67.57 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -50.9 -32.15 25.93 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -80.04 179.24 7.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 0.751 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.446 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 40.9 m -117.9 -177.49 3.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.018 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.623 ' HA ' HD11 ' A' ' 57' ' ' ILE . 39.8 m-20 -53.83 -48.79 69.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -61.57 -73.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 96' ' ' ALA . 4.0 mt-10 -40.85 -62.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.59 -70.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.627 ' CE ' HG23 ' A' ' 57' ' ' ILE . 13.5 mmt -48.2 -35.85 12.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.33 -30.89 69.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 96' ' ' ALA . 2.8 m -72.84 -41.05 65.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.793 HD12 HG21 ' A' ' 83' ' ' VAL . 9.4 tp -50.59 -73.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -42.22 -37.46 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -63.19 -60.84 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -58.91 -35.86 73.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.513 ' SD ' HD12 ' A' ' 39' ' ' LEU . 45.6 mtp -56.61 -32.09 64.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.95 -25.66 15.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.012 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.618 ' O ' HD13 ' A' ' 110' ' ' ILE . 0.0 OUTLIER -87.01 -66.61 0.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.632 ' HA ' HD11 ' A' ' 110' ' ' ILE . 13.2 mm-40 -54.57 -17.81 3.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.478 ' HA2' ' CA ' ' A' ' 112' ' ' GLY . . . -93.74 -7.13 61.72 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -93.11 -57.66 2.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.654 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -76.98 -39.87 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.528 ' CB ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -95.44 -72.25 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.478 ' CA ' ' HA2' ' A' ' 108' ' ' GLY . . . 117.52 20.38 4.68 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.525 ' CB ' ' HA ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -159.6 179.15 9.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 111.059 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.66 ' CG2' HD11 ' A' ' 31' ' ' LEU . 12.5 tt -154.56 139.75 10.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.33 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.671 ' NE2' HG23 ' A' ' 26' ' ' THR . 36.2 tt0 -105.28 160.2 15.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.44 ' N ' ' CG ' ' A' ' 115' ' ' GLN . 30.9 mt -133.5 120.99 21.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.64 HG12 HD11 ' A' ' 81' ' ' ILE . 39.5 t -104.48 116.74 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.424 HD13 ' OD1' ' A' ' 78' ' ' ASP . 1.3 pp -106.94 155.98 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 23' ' ' GLU . 2.3 tm? -145.72 121.46 10.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.536 ' N ' HD13 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -120.92 149.65 42.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.322 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.1 172.5 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.284 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -49.3 -61.14 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -172.51 -125.03 0.8 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 70.59 5.28 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.507 1.793 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 46.64 90.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 109.95 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.3 t -85.45 -59.12 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.995 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p 55.34 102.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 0.729 . . . . 0.0 109.954 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.2 134.77 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.75 144.53 3.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.451 1.095 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -174.31 159.84 3.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.978 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.15 158.07 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.998 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.631 ' O ' HD12 ' A' ' 8' ' ' LEU . . . -129.71 -146.57 6.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.631 HD12 ' O ' ' A' ' 7' ' ' GLY . 0.1 OUTLIER 177.3 122.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 177.38 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.05 -56.67 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.553 1.158 . . . . 0.0 111.049 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 64.54 114.97 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -42.51 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.469 1.773 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.5 152.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.89 155.63 40.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.239 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' A' ' 17' ' ' LEU . 9.6 p90 -54.75 -179.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' A' ' 17' ' ' LEU . . . -108.01 133.81 51.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.608 ' C ' HD12 ' A' ' 17' ' ' LEU . 2.5 pp 43.53 -165.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.523 ' N ' HD12 ' A' ' 17' ' ' LEU . 78.7 p -179.43 172.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 0.0 109.997 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' GLU . 0.0 OUTLIER 49.8 -176.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' LEU . 0.8 OUTLIER 38.31 86.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.8 m -122.9 109.57 14.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t 76.12 -166.9 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.586 ' O ' HD22 ' A' ' 119' ' ' LEU . 2.5 mt-10 -110.63 124.12 51.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.659 ' HG3' HD11 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -143.66 144.03 31.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.409 ' N ' ' HG2' ' A' ' 24' ' ' GLN . 27.9 mt -119.93 155.71 32.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.616 ' C ' HD22 ' A' ' 27' ' ' LEU . 29.6 m -133.25 107.71 8.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.397 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.708 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -112.9 130.48 56.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -97.01 155.72 16.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.742 HD11 ' CB ' ' A' ' 71' ' ' ASP . 25.0 mt -146.16 122.49 5.79 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.42 ' C ' HD23 ' A' ' 31' ' ' LEU . 18.5 Cg_endo -74.99 132.92 15.97 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.798 . . . . 0.0 111.055 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.542 HD21 ' CD2' ' A' ' 39' ' ' LEU . 15.8 mt -112.02 49.87 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 30' ' ' PRO . 69.3 m-80 -77.72 -63.66 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -90.58 -33.25 15.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.46 -43.99 53.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 109.999 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' CA ' ' HB3' ' A' ' 31' ' ' LEU . . . -40.25 -38.77 1.42 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.447 1.092 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 35' ' ' GLY . 0.6 OUTLIER -37.17 -65.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 0.754 . . . . 0.0 110.014 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.35 -28.11 15.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 39' ' ' LEU . . . 135.35 178.41 15.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.542 ' CD2' HD21 ' A' ' 31' ' ' LEU . 14.3 mt -39.15 -67.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.535 ' O ' HD13 ' A' ' 63' ' ' ILE . . . 115.69 27.01 3.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.47 ' HA ' HD13 ' A' ' 63' ' ' ILE . 4.4 m -128.68 149.22 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.913 ' C ' HD23 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -102.05 140.6 36.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.011 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.913 HD23 ' C ' ' A' ' 42' ' ' SER . 3.0 mt -116.09 176.29 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.15 151.33 48.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.34 132.87 11.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.488 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 2.2 m-20 -113.86 124.18 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' C ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -116.8 152.2 34.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.93 131.53 56.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.55 -47.89 10.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -40.38 -57.58 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.2 p -83.32 -41.0 18.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.411 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.08 49.37 3.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.462 HG22 ' H ' ' A' ' 54' ' ' ASP . 9.3 m -146.03 173.78 11.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 110.423 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.462 ' H ' HG22 ' A' ' 53' ' ' THR . 4.6 m-20 -99.19 108.16 20.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 91.9 mt -47.74 -54.77 11.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.22 -145.01 10.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 111.05 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.535 HD11 ' HA ' ' A' ' 93' ' ' ASN . 35.3 mm -117.81 145.25 23.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 57' ' ' ILE . 4.9 m-85 -139.61 130.09 25.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.454 HD12 ' HB2' ' A' ' 78' ' ' ASP . 49.4 mt -51.72 152.71 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.41 -51.42 2.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.91 149.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.962 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.66 HG21 ' CA ' ' A' ' 72' ' ' GLY . 2.4 mp -93.64 139.46 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.535 HD13 ' O ' ' A' ' 40' ' ' GLY . 3.8 mp -94.44 97.8 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.554 ' CD2' ' CE1' ' A' ' 69' ' ' PHE . 1.6 m80 -52.37 -176.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.614 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 43.83 35.7 3.35 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -140.83 -151.27 5.55 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.54 -57.56 2.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 0.771 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.434 ' CB ' HG13 ' A' ' 41' ' ' VAL . . . -53.21 -31.09 41.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.554 ' CE1' ' CD2' ' A' ' 64' ' ' HIS . 7.4 t80 -40.58 -40.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -53.25 -47.26 69.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.742 ' CB ' HD11 ' A' ' 29' ' ' ILE . 22.8 t0 -86.89 -13.33 45.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.66 ' CA ' HG21 ' A' ' 62' ' ' ILE . . . -38.13 -29.04 0.05 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 71' ' ' ASP . 13.5 ptp180 -39.15 -29.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 0.76 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 72' ' ' GLY . 23.2 mt -67.56 178.83 1.49 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -127.59 137.34 52.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.5 176.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 63.43 27.5 15.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.456 ' HB3' ' CG2' ' A' ' 118' ' ' ILE . 48.4 m-20 -90.45 93.09 9.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -51.96 127.55 21.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 110.248 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 80' ' ' LEU . 3.5 mp -86.94 92.61 9.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.804 ' HA ' HD21 ' A' ' 89' ' ' LEU . 28.1 pt -73.31 -6.02 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 81' ' ' ILE . . . 178.45 -179.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.02 HG21 HD12 ' A' ' 100' ' ' LEU . 2.6 p -169.36 122.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.239 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 56.32 19.97 4.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 95.77 -8.74 68.42 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.73 ' HG2' HG21 ' A' ' 99' ' ' THR . 0.7 OUTLIER -87.6 130.46 34.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.316 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.65 153.94 42.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.416 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.443 HD12 ' HB3' ' A' ' 80' ' ' LEU . 80.6 mt -126.28 -43.16 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.804 HD21 ' HA ' ' A' ' 81' ' ' ILE . 3.2 mt -48.18 -39.75 21.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.4 -28.8 71.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' LEU . 7.3 mttt -94.9 -175.63 3.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.288 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.47 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 50.3 m -103.99 -172.03 2.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.535 ' HA ' HD11 ' A' ' 57' ' ' ILE . 44.4 m-20 -62.14 -51.29 68.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 95' ' ' GLU . 74.7 t60 -62.84 -71.27 0.17 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 96' ' ' ALA . 6.4 mt-10 -38.47 -65.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 92' ' ' SER . . . -38.71 -68.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.417 ' HG2' ' CD1' ' A' ' 57' ' ' ILE . 17.3 mmm -47.35 -37.59 11.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -63.19 -30.58 71.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.303 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.73 HG21 ' HG2' ' A' ' 86' ' ' GLU . 1.2 m -77.79 -44.23 28.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 110.382 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 1.02 HD12 HG21 ' A' ' 83' ' ' VAL . 14.3 tp -45.29 -74.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.427 ' HA ' ' CE ' ' A' ' 104' ' ' MET . 19.0 ptt180 -46.78 -26.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -73.53 -61.24 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.429 ' CA ' ' HB2' ' A' ' 107' ' ' GLU . 1.9 m -59.14 -13.49 7.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.064 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.535 ' HE2' ' HG ' ' A' ' 100' ' ' LEU . 11.7 mtm -75.18 -46.17 35.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.466 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 0.3 OUTLIER -97.14 -36.48 10.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.021 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -73.58 -62.4 1.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.429 ' HB2' ' CA ' ' A' ' 103' ' ' SER . 3.6 mm-40 -74.26 -18.69 60.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -93.9 -8.64 60.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 105' ' ' SER . 1.7 m-20 -72.69 -36.41 67.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 0.745 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.802 HD13 ' H ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -97.34 -34.49 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.414 ' N ' HG12 ' A' ' 110' ' ' ILE . 2.4 mmp_? -79.89 -69.07 0.61 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 117.58 10.34 9.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.484 ' SD ' ' C ' ' A' ' 113' ' ' MET . 0.0 OUTLIER -161.8 -168.65 2.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 111.011 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.465 ' CG2' HD21 ' A' ' 39' ' ' LEU . 5.6 tt -148.3 133.43 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.458 ' CD ' ' CG2' ' A' ' 26' ' ' THR . 9.6 tt0 -95.61 129.7 42.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.1 mt -113.66 117.9 32.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.736 HG12 HD11 ' A' ' 81' ' ' ILE . 38.5 t -104.72 126.62 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.456 ' CG2' ' HB3' ' A' ' 78' ' ' ASP . 1.5 pp -117.74 147.87 20.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.736 ' HB2' HG21 ' A' ' 81' ' ' ILE . 3.1 tm? -115.44 122.02 44.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -134.18 113.53 12.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.13 -53.08 2.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.27 -61.17 1.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.062 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 128.46 -175.87 18.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.447 1.092 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 63.62 6.0 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.1 128.18 38.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.05 154.18 8.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.055 179.995 . . . . . . . . 0 0 . 1 stop_ save_